A0A087YR05_POEFO Loading...

SHSP domain-containing protein

AlphaFold DB , UniProt , Accession A0A087YR05, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.3Very low42Very low245 Ų245146.1 Ų146.1100%1.20786%0.855SS**  0109.20-67.7-164.3-170.200108
2L39.8Very low41.9Very low178 Ų178142.8 Ų142.893%0.93285%0.846SS**  trans-151.9147.8165.4-90.2172.5000108.5
3C36.8Very low42.4Very low127 Ų127141.1 Ų141.186%0.85884%0.841SS**  trans-86.3171.5-148.8-59.20000116.3
4S41.3Very low42.9Very low92 Ų92142.6 Ų142.664%0.64383%0.832SS**  trans-72169.9-173-50.40000118.2
5H42.4Very low43Very low192 Ų192145.2 Ų145.289%0.88984%0.836SS**  trans97.2123.4146.9-52.9-58.5000119.3
6G37.2Very low42.9Very low76 Ų76144.2 Ų144.278%0.78483%0.827SS**  trans-176.387.3166.500000112.2
7F40.4Very low43Very low198 Ų198147.4 Ų147.487%0.86883%0.829SS**  trans-117.4144.8149-89.7-71.3000105.2
8P45.9Very low43.4Very low129 Ų129144.9 Ų144.984%0.83882%0.824SS**  -142163.572.933.3-13.2000116
9S47Very low43.5Very low107 Ų107149.1 Ų149.175%0.74883%0.825SS**  trans-68148.6172.6-49.90000113.4
10A41.8Very low43.9Very low87 Ų87146.9 Ų146.972%0.71982%0.818SS**  trans-172.7117.3136.700000112.5
11L43.4Very low44.3Very low176 Ų176145 Ų14592%0.92181%0.81SS**  trans56115.8132.7-57.4168000120.4
12S40.4Very low44.6Very low107 Ų107144 Ų14475%0.74879%0.793SS**  trans-66.7170168.166.30000113.3
13P49Very low45.2Very low120 Ų120139.2 Ų139.278%0.77978%0.775SS**  -143.5150.972.930.6-9.1000117
14F49.1Very low46.2Very low163 Ų163141.5 Ų141.572%0.71578%0.777SS**  trans-15.6132.1149.5-100.7-114.1000116.9D16F14-D16 VanDerWaalsContact CD1-OD2 3.31Å; F14-D16 WeakPolarHBondContact CD1-OD2 3.02Å; F14-D16 VanDerWaalsContact CE1-OD2 3.32Å; F14-D16 WeakPolarHBondContact CE1-OD2 3.36Å
15M44.4Very low46.7Very low181 Ų181146.7 Ų146.789%0.89278%0.783SS**  trans-134.8106.3143.3-73.8-153128.200109.3
16D40.9Very low47.2Very low129 Ų129142.5 Ų142.569%0.6977%0.772SS**  trans-73121.6169.1-78.1-45.3000109.7F14 S18F14-D16 VanDerWaalsContact CD1-OD2 3.31Å; F14-D16 WeakPolarHBondContact CD1-OD2 3.02Å; F14-D16 VanDerWaalsContact CE1-OD2 3.32Å; F14-D16 WeakPolarHBondContact CE1-OD2 3.36Å; D16-S18 PolarHBondContact O-N 3.1Å
17F45Very low48Very low198 Ų198147.5 Ų147.587%0.86878%0.775SS**  trans-76.697.2166-91.4-96.1000109.2
18S50.1Low49Very low104 Ų104142.8 Ų142.873%0.72776%0.763SS**  trans-92.899.3169.964.90000110.8D16D16-S18 PolarHBondContact O-N 3.1Å
19W46.1Very low49.7Very low223 Ų223146.3 Ų146.385%0.84576%0.759SS**  trans-98.4123.2157.3-93.431.3000108.7V21W19-V21 HydrophobicContact CE3-CG2 4.22Å
20P50.6Low50.4Low106 Ų106145 Ų14569%0.68875%0.748SS**  trans-98.494.8160.633.8-21.7000107.6R22P20-R22 PolarHBondContact O-N 3.25Å
21V51.8Low51.2Low108 Ų108147.5 Ų147.566%0.65575%0.749SS**  trans-67.591.6152.5173.60000105.3W19 S23W19-V21 HydrophobicContact CE3-CG2 4.22Å; V21-S23 PolarHBondContact O-N 3.11Å
22R52.8Low52.1Low222 Ų222145.8 Ų145.884%0.83873%0.734SS**  trans-70.486.1165.1-76.3-173.2178.8-103.51.4106.9P20 L24P20-R22 PolarHBondContact O-N 3.25Å; R22-L24 PolarHBondContact O-N 3.29Å
23S51.8Low53.5Low79 Ų79148.2 Ų148.255%0.55273%0.728SS**  trans-60.7105162-54.90000107V21 W25V21-S23 PolarHBondContact O-N 3.11Å; S23-W25 PolarHBondContact O-N 2.93Å
24L58.8Low54.7Low174 Ų174149.1 Ų149.191%0.91172%0.722SS**  trans-62.779.4163.6-79152.8000107.7R22R22-L24 PolarHBondContact O-N 3.29Å
25W51.5Low56Low202 Ų202146.5 Ų146.577%0.76571%0.712SS**  trans-74.1131.2165.6-90.364.9000107.7S23 E27 V28S23-W25 PolarHBondContact O-N 2.93Å; W25-E27 PolarHBondContact O-N 2.91Å; W25-V28 HydrophobicContact CE3-CG2 4.11Å
26P52.7Low57.7Low103 Ų103143.4 Ų143.467%0.66970%0.695SS**  trans-56.8143.2170.2-15.728.7000108V28P26-V28 WeakPolarHBondContact O-CG2 3.45Å; P26-V28 PolarHBondContact O-N 3.32Å
27E55.1Low59.9Low181 Ų181139.8 Ų139.885%0.84668%0.678SS**  trans-57.187.8169.5-167.376.7-155.600108.2W25 R29W25-E27 PolarHBondContact O-N 2.91Å; E27-R29 VanDerWaalsContact C-N 3.25Å; E27-R29 PolarHBondContact O-N 3.27Å
28V60.6Low61.9Low100 Ų100135.6 Ų135.661%0.60666%0.662SS**  trans-73.192178.6-151.60000104.4W25 P26 P30W25-V28 HydrophobicContact CE3-CG2 4.11Å; P26-V28 WeakPolarHBondContact O-CG2 3.45Å; P26-V28 PolarHBondContact O-N 3.32Å; V28-P30 WeakPolarHBondContact O-CD 3.41Å
29R60.6Low63.7Low202 Ų202136.3 Ų136.376%0.76265%0.654SS**  trans-52.1113170.4-71.2-173.6178.7-170.90.1106.1E27 L31E27-R29 VanDerWaalsContact C-N 3.25Å; E27-R29 PolarHBondContact O-N 3.27Å; R29-L31 PolarHBondContact O-N 3.01Å
30P61.8Low65.8Low80 Ų80133.7 Ų133.752%0.51964%0.644SS.*  trans-59.6130.7-174.8-2232.4000108.1V28 F32 Y33V28-P30 WeakPolarHBondContact O-CD 3.41Å; P30-F32 HydrophobicContact CB-CB 4.47Å; P30-F32 HydrophobicContact CB-CD2 4.29Å; P30-F32 PolarHBondContact O-N 3.02Å; P30-Y33 PolarHBondContact O-N 3.1Å
31L59Low67.8Low139 Ų139132.6 Ų132.673%0.72863%0.632SS**Hα-helixtrans-50.7-24.9178.1-67.8172.6000112.1R29 Q34 Q35R29-L31 PolarHBondContact O-N 3.01Å; L31-Q34 PolarHBondContact O-N 3.27Å; L31-Q35 WeakPolarHBondContact O-CB 3.34Å; L31-Q35 PolarHBondContact O-N 3.41Å
32F62.3Low69.8Low140 Ų140132 Ų13261%0.61463%0.625SS**Hα-helixtrans-60.6-38.5173.2-62.4-72.3000114.4P30 Q35 H36P30-F32 HydrophobicContact CB-CB 4.47Å; P30-F32 HydrophobicContact CB-CD2 4.29Å; P30-F32 PolarHBondContact O-N 3.02Å; F32-Q35 PolarHBondContact O-N 3.41Å; F32-H36 PolarHBondContact O-N 2.89Å; F32-H36 PolarHBondContact O-ND1 2.96Å
33Y70Confident71.8Confident159 Ų159128.2 Ų128.262%0.62462%0.616SS**Hα-helixtrans-67.3-45.1177.6179.9-97.3000110.6P30 Q35 H36 V37P30-Y33 PolarHBondContact O-N 3.1Å; Y33-Q35 VanDerWaalsContact C-N 3.27Å; Y33-Q35 PolarHBondContact O-N 2.75Å; Y33-H36 PolarHBondContact O-N 3.07Å; Y33-V37 HydrophobicContact CD1-CG2 4.18Å; Y33-V37 HydrophobicContact CE1-CG2 3.75Å; Y33-V37 HydrophobicContact CE2-CG2 4.37Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 2.96Å
34Q74.8Confident73.8Confident139 Ų139130.1 Ų130.165%0.6562%0.617SS**Hα-helixtrans-62.3-36176.9-170.8171-47.600111.8L31 M38L31-Q34 PolarHBondContact O-N 3.27Å; Q34-M38 PolarHBondContact O-N 3.39Å; Q34-M38 VanDerWaalsContact O-N 3.1Å
35Q74.6Confident75.5Confident107 Ų107126.2 Ų126.250%0.560%0.596SS.*Hα-helixtrans-65.6-45174.5-172.217811.300112.6L31 F32 Y33 M38 Q39L31-Q35 WeakPolarHBondContact O-CB 3.34Å; L31-Q35 PolarHBondContact O-N 3.41Å; F32-Q35 PolarHBondContact O-N 3.41Å; Y33-Q35 VanDerWaalsContact C-N 3.27Å; Y33-Q35 PolarHBondContact O-N 2.75Å; Q35-M38 PolarHBondContact O-N 2.94Å; Q35-Q39 WeakPolarHBondContact O-CB 3.02Å; Q35-Q39 PolarHBondContact O-N 3.12Å
36H81.4Confident77.6Confident117 Ų117121.8 Ų121.854%0.54258%0.584SS.*Hα-helixtrans-66.2-37.3178.5-74107.2000112.6F32 Y33 Q39 R40F32-H36 PolarHBondContact O-N 2.89Å; F32-H36 PolarHBondContact O-ND1 2.96Å; Y33-H36 PolarHBondContact O-N 3.07Å; H36-Q39 PolarHBondContact O-N 2.86Å; H36-R40 WeakPolarHBondContact O-CB 3.25Å; H36-R40 PolarHBondContact O-N 3.46Å
37V86.5Confident79.6Confident53 Ų53120.4 Ų120.432%0.32158%0.577SS.*Hα-helixtrans-63.4-49.8175.1175.10000110.1Y33 Q39 R40 D41Y33-V37 HydrophobicContact CD1-CG2 4.18Å; Y33-V37 HydrophobicContact CE1-CG2 3.75Å; Y33-V37 HydrophobicContact CE2-CG2 4.37Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 2.96Å; V37-Q39 VanDerWaalsContact C-N 3.29Å; V37-Q39 PolarHBondContact O-N 2.93Å; V37-R40 WeakPolarHBondContact O-CB 3.33Å; V37-R40 PolarHBondContact O-N 2.83Å; V37-D41 VanDerWaalsContact O-CG 3.22Å; V37-D41 PolarHBondContact O-N 3.28Å
38M87Confident81.5Confident109 Ų109115.1 Ų115.154%0.53756%0.56SS.*Hα-helixtrans-59.9-39.3176.9-173.5-167.47700112.3Q34 Q35 D41 L42Q34-M38 PolarHBondContact O-N 3.39Å; Q34-M38 VanDerWaalsContact O-N 3.1Å; Q35-M38 PolarHBondContact O-N 2.94Å; M38-D41 PolarHBondContact O-N 3.48Å; M38-L42 HydrophobicContact CE-CD1 4.24Å; M38-L42 HydrophobicContact CG-CD1 4.17Å; M38-L42 HydrophobicContact CG-CG 4.48Å; M38-L42 WeakPolarHBondContact O-CB 2.91Å; M38-L42 VanDerWaalsContact O-CG 3.3Å; M38-L42 WeakPolarHBondContact O-CG 3.5Å; M38-L42 PolarHBondContact O-N 2.78Å
39Q87.4Confident83Confident119 Ų119114.2 Ų114.256%0.55655%0.551SS**Hα-helixtrans-66.1-40179-170171.620.600112Q35 H36 V37 Q43Q35-Q39 WeakPolarHBondContact O-CB 3.02Å; Q35-Q39 PolarHBondContact O-N 3.12Å; H36-Q39 PolarHBondContact O-N 2.86Å; V37-Q39 VanDerWaalsContact C-N 3.29Å; V37-Q39 PolarHBondContact O-N 2.93Å; Q39-Q43 WeakPolarHBondContact O-CB 3.49Å; Q39-Q43 PolarHBondContact O-N 3.35Å
40R91.7Very high84.5Confident168 Ų168109.2 Ų109.263%0.63454%0.536SS*.Hα-helixtrans-64.5-45.1173.4177.3-174.8145.6170.7-3.9111.3H36 V37 L42 Q43 E44H36-R40 WeakPolarHBondContact O-CB 3.25Å; H36-R40 PolarHBondContact O-N 3.46Å; V37-R40 WeakPolarHBondContact O-CB 3.33Å; V37-R40 PolarHBondContact O-N 2.83Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-L42 PolarHBondContact O-N 3.17Å; R40-Q43 WeakPolarHBondContact O-CB 3.47Å; R40-Q43 PolarHBondContact O-N 2.97Å; R40-E44 PolarHBondContact O-N 3.04Å
41D92.1Very high86Confident84 Ų84110.4 Ų110.445%0.44954%0.538SS..Hα-helixtrans-64.4-40.3-179.6-65.7-12.9000111.4V37 M38 Q43 E44 L45V37-D41 VanDerWaalsContact O-CG 3.22Å; V37-D41 PolarHBondContact O-N 3.28Å; M38-D41 PolarHBondContact O-N 3.48Å; D41-Q43 VanDerWaalsContact C-N 3.34Å; D41-E44 PolarHBondContact O-N 3.03Å; D41-L45 WeakPolarHBondContact O-CB 3.3Å; D41-L45 PolarHBondContact O-N 2.76Å
42L93.5Very high87.4Confident96 Ų96108.6 Ų108.650%0.50353%0.527SS..Hα-helixtrans-66.7-35.8174.4-73.5174.8000112.4M38 R40 L45 H46M38-L42 HydrophobicContact CE-CD1 4.24Å; M38-L42 HydrophobicContact CG-CD1 4.17Å; M38-L42 HydrophobicContact CG-CG 4.48Å; M38-L42 WeakPolarHBondContact O-CB 2.91Å; M38-L42 VanDerWaalsContact O-CG 3.3Å; M38-L42 WeakPolarHBondContact O-CG 3.5Å; M38-L42 PolarHBondContact O-N 2.78Å; R40-L42 VanDerWaalsContact C-N 3.34Å; R40-L42 PolarHBondContact O-N 3.17Å; L42-L45 HydrophobicContact CD2-CD2 4.49Å; L42-L45 PolarHBondContact O-N 2.93Å; L42-H46 VanDerWaalsContact O-CB 3.31Å; L42-H46 WeakPolarHBondContact O-CB 3.33Å; L42-H46 PolarHBondContact O-N 2.98Å
43Q94.6Very high88.5Confident141 Ų141105 Ų10566%0.65951%0.514SS*.Hα-helixtrans-66.1-42.4174.6-174.8-176.61.900111.3Q39 R40 D41 H46 S47Q39-Q43 WeakPolarHBondContact O-CB 3.49Å; Q39-Q43 PolarHBondContact O-N 3.35Å; R40-Q43 WeakPolarHBondContact O-CB 3.47Å; R40-Q43 PolarHBondContact O-N 2.97Å; D41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-H46 PolarHBondContact O-N 2.85Å; Q43-S47 WeakPolarHBondContact O-CB 3.32Å; Q43-S47 PolarHBondContact O-N 2.8Å
44E94.7Very high89.3Confident120 Ų120103.6 Ų103.656%0.56151%0.511SS*.Hα-helixtrans-63.6-44.4175.7-172.1169.7173.300111R40 D41 H46 S47 S48R40-E44 PolarHBondContact O-N 3.04Å; D41-E44 PolarHBondContact O-N 3.03Å; E44-H46 PolarHBondContact O-N 2.86Å; E44-S47 PolarHBondContact O-N 2.88Å; E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 2.7Å
45L94.5Very high89.7Confident91 Ų91101 Ų10148%0.47650%0.502SS..Hα-helixtrans-60.8-45.8174.1179.962.7000111.6D41 L42 S47 S48 L49D41-L45 WeakPolarHBondContact O-CB 3.3Å; D41-L45 PolarHBondContact O-N 2.76Å; L42-L45 HydrophobicContact CD2-CD2 4.49Å; L42-L45 PolarHBondContact O-N 2.93Å; L45-S47 VanDerWaalsContact C-N 3.35Å; L45-S47 PolarHBondContact O-N 3.1Å; L45-S48 PolarHBondContact O-N 3.31Å; L45-L49 HydrophobicContact CD1-CD1 4.21Å; L45-L49 HydrophobicContact CD1-CG 4.13Å; L45-L49 HydrophobicContact CG-CD1 3.97Å; L45-L49 HydrophobicContact CG-CG 4.31Å; L45-L49 WeakPolarHBondContact O-CB 3.38Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.84Å
46H94.6Very high89.7Confident110 Ų110101.5 Ų101.551%0.50950%0.504SS..Hα-helixtrans-64.1-41.4179.3-173.6-97.6000111.7L42 Q43 E44 L49 Q50L42-H46 VanDerWaalsContact O-CB 3.31Å; L42-H46 WeakPolarHBondContact O-CB 3.33Å; L42-H46 PolarHBondContact O-N 2.98Å; Q43-H46 PolarHBondContact O-N 2.85Å; E44-H46 PolarHBondContact O-N 2.86Å; H46-L49 PolarHBondContact O-N 2.84Å; H46-Q50 PolarHBondContact CE1-NE2 3.44Å; H46-Q50 WeakPolarHBondContact O-CB 3.26Å; H46-Q50 WeakPolarHBondContact O-CG 3.3Å; H46-Q50 PolarHBondContact O-N 3.42Å
47S95.2Very high89.4Confident74 Ų74101.6 Ų101.652%0.51750%0.499SS..Hα-helixtrans-60.9-45.4173.8-173.20000111.5Q43 E44 L45 Q50 L51Q43-S47 WeakPolarHBondContact O-CB 3.32Å; Q43-S47 PolarHBondContact O-N 2.8Å; E44-S47 PolarHBondContact O-N 2.88Å; L45-S47 VanDerWaalsContact C-N 3.35Å; L45-S47 PolarHBondContact O-N 3.1Å; S47-Q50 PolarHBondContact O-N 2.77Å; S47-L51 PolarHBondContact O-N 3.05Å
48S94.7Very high88.8Confident70 Ų70104.5 Ų104.549%0.4951%0.509SS..Hα-helixtrans-62.4-45176.4-177.90000112E44 L45 Q50 L51 M52E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 2.7Å; L45-S48 PolarHBondContact O-N 3.31Å; S48-Q50 VanDerWaalsContact C-N 3.34Å; S48-Q50 PolarHBondContact O-N 2.97Å; S48-L51 PolarHBondContact O-N 3.12Å; S48-M52 WeakPolarHBondContact O-CB 3.34Å; S48-M52 PolarHBondContact O-N 2.98Å
49L92.1Very high88Confident81 Ų81104.5 Ų104.542%0.42451%0.511SS..Hα-helixtrans-63.1-39.5176.4-72.6173.9000111.8L45 H46 M52 D53L45-L49 HydrophobicContact CD1-CD1 4.21Å; L45-L49 HydrophobicContact CD1-CG 4.13Å; L45-L49 HydrophobicContact CG-CD1 3.97Å; L45-L49 HydrophobicContact CG-CG 4.31Å; L45-L49 WeakPolarHBondContact O-CB 3.38Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.46Å; L45-L49 PolarHBondContact O-N 2.84Å; H46-L49 PolarHBondContact O-N 2.84Å; L49-M52 HydrophobicContact CD2-CE 3.8Å; L49-M52 PolarHBondContact O-N 2.82Å; L49-D53 WeakPolarHBondContact O-CB 3.3Å; L49-D53 PolarHBondContact O-N 2.58Å
50Q92.9Very high86.7Confident96 Ų96104.4 Ų104.445%0.44951%0.513SS..Hα-helixtrans-65.7-39.3174.6-77.2-171.1-21.200112.5H46 S47 S48 K54H46-Q50 PolarHBondContact CE1-NE2 3.44Å; H46-Q50 WeakPolarHBondContact O-CB 3.26Å; H46-Q50 WeakPolarHBondContact O-CG 3.3Å; H46-Q50 PolarHBondContact O-N 3.42Å; S47-Q50 PolarHBondContact O-N 2.77Å; S48-Q50 VanDerWaalsContact C-N 3.34Å; S48-Q50 PolarHBondContact O-N 2.97Å; Q50-K54 VanDerWaalsContact O-CG 3.29Å; Q50-K54 WeakPolarHBondContact O-CG 3.47Å; Q50-K54 PolarHBondContact O-N 3.18Å
51L92.2Very high85.1Confident106 Ų106103.8 Ų103.856%0.55552%0.517SS*.Hα-helixtrans-66-45.1175.1-176.368000110.7S47 S48 D53 K54 L55S47-L51 PolarHBondContact O-N 3.05Å; S48-L51 PolarHBondContact O-N 3.12Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-D53 PolarHBondContact O-N 3.13Å; L51-K54 WeakPolarHBondContact O-CB 3.2Å; L51-K54 PolarHBondContact O-N 3.29Å; L51-L55 HydrophobicContact CG-CD1 4.41Å; L51-L55 WeakPolarHBondContact O-CG 3.16Å; L51-L55 PolarHBondContact O-N 3.1Å
52M89.4Confident83.3Confident100 Ų100106.2 Ų106.249%0.49353%0.53SS..Hα-helixtrans-60.8-42.1176.6-174.4-164.169.200111.5S48 L49 L55 Q56S48-M52 WeakPolarHBondContact O-CB 3.34Å; S48-M52 PolarHBondContact O-N 2.98Å; L49-M52 HydrophobicContact CD2-CE 3.8Å; L49-M52 PolarHBondContact O-N 2.82Å; M52-L55 PolarHBondContact O-N 3.36Å; M52-Q56 VanDerWaalsContact O-CB 3.31Å; M52-Q56 WeakPolarHBondContact O-CB 3.5Å; M52-Q56 PolarHBondContact O-N 2.79Å
53D85.6Confident81.1Confident65 Ų65104 Ų10435%0.34852%0.521SS..Hα-helixtrans-67.7-35.9178.2179.852.4000111.9L49 L51 R57L49-D53 WeakPolarHBondContact O-CB 3.3Å; L49-D53 PolarHBondContact O-N 2.58Å; L51-D53 VanDerWaalsContact C-N 3.33Å; L51-D53 PolarHBondContact O-N 3.13Å; D53-R57 WeakPolarHBondContact O-CB 3.03Å; D53-R57 WeakPolarHBondContact O-CG 3.49Å; D53-R57 PolarHBondContact O-N 2.74Å; D53-R57 IonicContact OD1-CZ 3.23Å; D53-R57 IonicContact OD1-NH1 3.04Å; D53-R57 PolarHBondContact OD1-NH1 3.29Å; D53-R57 VanDerWaalsContact OD1-NH1 3.15Å; D53-R57 IonicContact OD1-NH2 2.95Å; D53-R57 IonicContact OD2-CZ 3.85Å; D53-R57 IonicContact OD2-NH1 2.72Å; D53-R57 PolarHBondContact OD2-NH1 3.1Å; D53-R57 IonicContact OD2-NH2 3.21Å; D53-R57 PolarHBondContact OD2-NH2 3.15Å
54K85.8Confident78.7Confident129 Ų129104.4 Ų104.456%0.56152%0.523SS*.Hα-helixtrans-65.2-45.3169.3-73.5174.3-178.5-177.80112.2Q50 L51 R57 Q58Q50-K54 VanDerWaalsContact O-CG 3.29Å; Q50-K54 WeakPolarHBondContact O-CG 3.47Å; Q50-K54 PolarHBondContact O-N 3.18Å; L51-K54 WeakPolarHBondContact O-CB 3.2Å; L51-K54 PolarHBondContact O-N 3.29Å; K54-R57 PolarHBondContact O-N 3.47Å; K54-Q58 WeakPolarHBondContact O-CB 3.46Å; K54-Q58 PolarHBondContact O-N 3.44Å
55L82.7Confident76.3Confident86 Ų86104.3 Ų104.345%0.4553%0.533SS..Hα-helixtrans-63.5-43.3176.6-72.7175.7000111.3L51 M52 R57 Q58 I59L51-L55 HydrophobicContact CG-CD1 4.41Å; L51-L55 WeakPolarHBondContact O-CG 3.16Å; L51-L55 PolarHBondContact O-N 3.1Å; M52-L55 PolarHBondContact O-N 3.36Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.38Å; L55-Q58 PolarHBondContact O-N 2.91Å; L55-I59 WeakPolarHBondContact O-CB 3.49Å; L55-I59 WeakPolarHBondContact O-CD1 3.47Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.85Å
56Q75.6Confident74Confident117 Ų117106.1 Ų106.155%0.54754%0.537SS..Hα-helixtrans-62.6-41.6178.2-173.6-179.2-32.400110.9M52 L60M52-Q56 VanDerWaalsContact O-CB 3.31Å; M52-Q56 WeakPolarHBondContact O-CB 3.5Å; M52-Q56 PolarHBondContact O-N 2.79Å; Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 PolarHBondContact O-N 2.82Å
57R75.6Confident71.5Confident119 Ų119108.6 Ų108.645%0.44954%0.542SS..Hα-helixtrans-63.5-44.9173.2-82.3-169.1-71.2-91.1-8.6112.4D53 K54 L55 L60 E61D53-R57 WeakPolarHBondContact O-CB 3.03Å; D53-R57 WeakPolarHBondContact O-CG 3.49Å; D53-R57 PolarHBondContact O-N 2.74Å; D53-R57 IonicContact OD1-CZ 3.23Å; D53-R57 IonicContact OD1-NH1 3.04Å; D53-R57 PolarHBondContact OD1-NH1 3.29Å; D53-R57 VanDerWaalsContact OD1-NH1 3.15Å; D53-R57 IonicContact OD1-NH2 2.95Å; D53-R57 IonicContact OD2-CZ 3.85Å; D53-R57 IonicContact OD2-NH1 2.72Å; D53-R57 PolarHBondContact OD2-NH1 3.1Å; D53-R57 IonicContact OD2-NH2 3.21Å; D53-R57 PolarHBondContact OD2-NH2 3.15Å; K54-R57 PolarHBondContact O-N 3.47Å; L55-R57 VanDerWaalsContact C-N 3.33Å; L55-R57 PolarHBondContact O-N 3.38Å; R57-L60 CarbonylContact O-C 3.57Å; R57-L60 PolarHBondContact O-N 2.84Å; R57-E61 WeakPolarHBondContact O-CB 3.43Å; R57-E61 WeakPolarHBondContact O-CG 2.82Å; R57-E61 PolarHBondContact O-N 2.84Å
58Q72.2Confident68.9Low113 Ų113111.1 Ų111.153%0.52856%0.56SS.*Hα-helixtrans-65.6-42.1179.6-170.5177.2-16.300111.8K54 L55 L60 E61 D62K54-Q58 WeakPolarHBondContact O-CB 3.46Å; K54-Q58 PolarHBondContact O-N 3.44Å; L55-Q58 PolarHBondContact O-N 2.91Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-E61 PolarHBondContact O-N 2.76Å; Q58-D62 WeakPolarHBondContact O-CB 3.46Å; Q58-D62 PolarHBondContact O-N 3.09Å
59I70.6Confident66.5Low110 Ų110111 Ų11156%0.56456%0.559SS**Hα-helixtrans-61-46172.8-68163.8000109.5L55 D62 T63L55-I59 WeakPolarHBondContact O-CB 3.49Å; L55-I59 WeakPolarHBondContact O-CD1 3.47Å; L55-I59 WeakPolarHBondContact O-CG1 3.49Å; L55-I59 PolarHBondContact O-N 2.85Å; I59-D62 PolarHBondContact O-N 2.82Å; I59-T63 PolarHBondContact O-N 3.26Å; I59-T63 PolarHBondContact O-OG1 2.78Å
60L60.1Low64.4Low116 Ų116113.1 Ų113.161%0.60757%0.574SS**Hα-helixtrans-69.3-31.1-178.7-175.964.2000113.6Q56 R57 Q58 T63Q56-L60 WeakPolarHBondContact O-CB 3.4Å; Q56-L60 PolarHBondContact O-N 2.82Å; R57-L60 CarbonylContact O-C 3.57Å; R57-L60 PolarHBondContact O-N 2.84Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; L60-T63 CarbonylContact O-C 3.54Å
61E59.5Low62.3Low156 Ų156110.1 Ų110.173%0.72957%0.566SS**Hα-helixtrans-76.7-37.5174.1-80.3-179.614900111.7R57 Q58 T63R57-E61 WeakPolarHBondContact O-CB 3.43Å; R57-E61 WeakPolarHBondContact O-CG 2.82Å; R57-E61 PolarHBondContact O-N 2.84Å; Q58-E61 PolarHBondContact O-N 2.76Å; E61-T63 VanDerWaalsContact C-N 3.29Å
62D54.5Low60.7Low134 Ų134109.2 Ų109.272%0.71756%0.562SS**Hα-helixtrans-76.9-17175.5-77.2-19.4000112.5Q58 I59Q58-D62 WeakPolarHBondContact O-CB 3.46Å; Q58-D62 PolarHBondContact O-N 3.09Å; I59-D62 PolarHBondContact O-N 2.82Å
63T47.2Very low59.5Low50 Ų50109.5 Ų109.531%0.30756%0.562SS.*SBendtrans-10286.2166.333.50000110.8I59 L60 E61 F66I59-T63 PolarHBondContact O-N 3.26Å; I59-T63 PolarHBondContact O-OG1 2.78Å; L60-T63 CarbonylContact O-C 3.54Å; E61-T63 VanDerWaalsContact C-N 3.29Å; T63-F66 HydrophobicContact CG2-CB 3.82Å; T63-F66 HydrophobicContact CG2-CD2 4.04Å; T63-F66 HydrophobicContact CG2-CG 4.3Å
64E43.9Very low59.1Low149 Ų149110.7 Ų110.770%0.69657%0.573SS**SBendtrans-33.3133144-77.3-64.2139.700108.8F66E64-F66 WeakPolarHBondContact O-CD2 3.32Å; E64-F66 PolarHBondContact O-N 3.32Å
65P43.4Very low59.2Low119 Ų119105.3 Ų105.377%0.77355%0.551SS**SBendtrans-4976.6-148.222.1-35000114.5R67P65-R67 PolarHBondContact O-N 2.86Å
66F46.7Very low59.7Low128 Ų128104.9 Ų104.956%0.56156%0.555SS**  trans-83.679.7172.9-88.9-78.4000105T63 E64 S68T63-F66 HydrophobicContact CG2-CB 3.82Å; T63-F66 HydrophobicContact CG2-CD2 4.04Å; T63-F66 HydrophobicContact CG2-CG 4.3Å; E64-F66 WeakPolarHBondContact O-CD2 3.32Å; E64-F66 PolarHBondContact O-N 3.32Å; F66-S68 PolarHBondContact O-N 3.48Å
67R41.6Very low60.5Low163 Ų163105.3 Ų105.362%0.61555%0.553SS**  trans-55.486159.5-166.4-173.5-166.6-177.53.9106.4P65 S69 Q73P65-R67 PolarHBondContact O-N 2.86Å; R67-S69 PolarHBondContact O-N 3.37Å; R67-Q73 VanDerWaalsContact NH1-CD 3.33Å; R67-Q73 VanDerWaalsContact NH1-NE2 3.2Å
68S41.5Very low61.4Low127 Ų127106.6 Ų106.689%0.88856%0.564SS**  trans-69.664.41631780000108F66F66-S68 PolarHBondContact O-N 3.48Å
69S43Very low62.3Low67 Ų67104.1 Ų104.147%0.46955%0.554SS.*  trans-124.7118161.1-177.80000102.4R67 A71R67-S69 PolarHBondContact O-N 3.37Å; S69-A71 PolarHBondContact O-N 2.69Å
70V47.7Very low63Low125 Ų125102.2 Ų102.276%0.75855%0.545SS*.  trans-65.270.3160.3-177.80000106.2
71A49Very low63.6Low34 Ų34103.8 Ų103.828%0.28155%0.546SS..  trans-89.7115.1167.200000103.8S69 Q73S69-A71 PolarHBondContact O-N 2.69Å; A71-Q73 HydrophobicContact CB-CG 4.29Å; A71-Q73 PolarHBondContact O-N 3.02Å
72L58.8Low63.7Low87 Ų87103.5 Ų103.546%0.45555%0.545SS..  trans-60.788.7163.9-64.8174.1000106.1P74 E132L72-P74 WeakPolarHBondContact O-CD 3.43Å; L72-E132 HydrophobicContact CD2-CB 3.82Å; L72-E132 HydrophobicContact CD2-CG 3.6Å
73Q65.1Low64.1Low105 Ų10599.7 Ų99.749%0.49154%0.537SS..PPolyproline II helixtrans-74.7120.4178.5-71.7-75.1-85.100106.1R67 A71 V75 F133R67-Q73 VanDerWaalsContact NH1-CD 3.33Å; R67-Q73 VanDerWaalsContact NH1-NE2 3.2Å; A71-Q73 HydrophobicContact CB-CG 4.29Å; A71-Q73 PolarHBondContact O-N 3.02Å; Q73-V75 PolarHBondContact O-N 3.16Å; Q73-F133 WeakPolarHBondContact O-CB 3.31Å
74P76.3Confident65.1Low91 Ų91102.9 Ų102.959%0.59155%0.549SS*.PPolyproline II helixtrans-61.8133.117223.6-29000108.7L72 Q135L72-P74 WeakPolarHBondContact O-CD 3.43Å; P74-Q135 HydrophobicContact CB-CG 4.26Å
75V88.8Confident66.6Low15 Ų15100.6 Ų100.69%0.09154%0.538CS..PPolyproline II helixtrans-74.2147.3176.9177.70000108.8Q73 D91 F133 Q135Q73-V75 PolarHBondContact O-N 3.16Å; V75-D91 HydrophobicContact CG1-CB 4.16Å; V75-D91 WeakPolarHBondContact CG1-O 3.27Å; V75-F133 HydrophobicContact CB-CD2 4.3Å; V75-F133 HydrophobicContact CB-CG 4.45Å; V75-F133 HydrophobicContact CG2-CB 3.72Å; V75-F133 HydrophobicContact CG2-CD1 3.55Å; V75-F133 HydrophobicContact CG2-CD2 3.64Å; V75-F133 HydrophobicContact CG2-CE1 4Å; V75-F133 HydrophobicContact CG2-CE2 4.09Å; V75-F133 HydrophobicContact CG2-CG 3.35Å; V75-F133 HydrophobicContact CG2-CZ 4.26Å; V75-Q135 PolarHBondContact O-NE2 3.33Å; V75-Q135 PolarHBondContact O-OE1 3.41Å
76S92.5Very high68.7Low77 Ų7795.4 Ų95.454%0.53850%0.503SS..PPolyproline II helixtrans-64.2143.7176.281.40000110L90 D91S76-L90 WeakPolarHBondContact O-CA 3.24Å; S76-D91 PolarHBondContact O-N 2.73Å; S76-D91 WeakPolarHBondContact OG-CB 3.38Å
77Y93.1Very high70.8Confident127 Ų12789.8 Ų89.850%0.49848%0.481SS..EExtended strand (participates in β ladder)trans-140.9153.1-179.369.3-88.4000111.5L79 L88 T89 F137Y77-L79 HydrophobicContact CD2-CB 4.38Å; Y77-L79 HydrophobicContact CE2-CB 4.44Å; Y77-L88 HydrophobicContact CD2-CD1 4.16Å; Y77-T89 CarbonylContact C-O 3.59Å; Y77-T89 WeakPolarHBondContact CA-O 3.36Å; Y77-F137 HydrophobicContact CD1-CE1 4.02Å; Y77-F137 HydrophobicContact CD1-CZ 4.31Å; Y77-F137 AromaticContact CD2-CE1 3.79Å; Y77-F137 HydrophobicContact CD2-CE1 3.79Å; Y77-F137 HydrophobicContact CE1-CE1 4.3Å; Y77-F137 HydrophobicContact CE2-CE1 4.09Å; Y77-F137 AromaticContact CG-CE1 3.76Å; Y77-F137 HydrophobicContact CG-CE1 3.76Å; Y77-F137 HydrophobicContact CG-CZ 4.15Å
78Q93.5Very high73.2Confident146 Ų14682 Ų8268%0.68245%0.452SS*.EExtended strand (participates in β ladder)trans-122.1130168.6-64.3-173.74500108.2T89Q78-T89 PolarHBondContact N-O 3.23Å; Q78-T89 PolarHBondContact O-N 2.73Å
79L90.9Very high75.8Confident60 Ų6077.7 Ų77.731%0.31442%0.42SS..EExtended strand (participates in β ladder)trans-116.5111.2-179.5179.560000108Y77 K81 F86 G87 L88Y77-L79 HydrophobicContact CD2-CB 4.38Å; Y77-L79 HydrophobicContact CE2-CB 4.44Å; L79-K81 HydrophobicContact CD2-CD 4.41Å; L79-K81 HydrophobicContact CD2-CG 4.4Å; L79-K81 HydrophobicContact CG-CG 4.01Å; L79-F86 HydrophobicContact CD1-CD2 4Å; L79-F86 HydrophobicContact CD1-CE2 3.42Å; L79-F86 VanDerWaalsContact CD1-CE2 3.42Å; L79-F86 HydrophobicContact CD1-CZ 3.71Å; L79-G87 CarbonylContact C-O 3.57Å; L79-G87 WeakPolarHBondContact CA-O 3.07Å; L79-L88 HydrophobicContact CD1-CB 4.45Å; L79-L88 HydrophobicContact CD1-CD1 4.37Å
80D86.8Confident78.2Confident70 Ų7074.5 Ų74.537%0.37440%0.398SS..EExtended strand (participates in β ladder)trans-90.2117.7173.9-173.2-4000108.5E82 H85 G87D80-E82 WeakPolarHBondContact OD1-CB 3.22Å; D80-E82 PolarHBondContact OD1-N 2.93Å; D80-H85 IonicContact OD2-CE1 3.84Å; D80-G87 PolarHBondContact N-O 2.84Å; D80-G87 PolarHBondContact O-N 3.06Å; D80-G87 VanDerWaalsContact O-N 3.1Å
81K72.3Confident80.5Confident149 Ų14971.7 Ų71.765%0.64838%0.379SS*.  trans-115.77.3176.6-61.8-171.8-179.9-177.80111.4L79 G83L79-K81 HydrophobicContact CD2-CD 4.41Å; L79-K81 HydrophobicContact CD2-CG 4.4Å; L79-K81 HydrophobicContact CG-CG 4.01Å; K81-G83 PolarHBondContact O-N 2.94Å; K81-G83 VanDerWaalsContact O-N 3.1Å
82E60.9Low82.6Confident151 Ų15170.1 Ų70.171%0.70637%0.365SS*.SBendtrans-80.193.8-175.7-86.266.4-155.500110.1D80D80-E82 WeakPolarHBondContact OD1-CB 3.22Å; D80-E82 PolarHBondContact OD1-N 2.93Å
83G63.1Low84Confident53 Ų5372.5 Ų72.555%0.54637%0.374SS..SBendtrans121-149.1167.800000115.8K81 H85K81-G83 PolarHBondContact O-N 2.94Å; K81-G83 VanDerWaalsContact O-N 3.1Å; G83-H85 VanDerWaalsContact C-N 3.31Å
84E68.2Low85.1Confident117 Ų11768.9 Ų68.955%0.54737%0.365SS..SBendtrans-87.410.4-178.7-65.1-63126.100113.2K164E84-K164 WeakPolarHBondContact O-CB 3.11Å; E84-K164 PolarHBondContact O-N 3.41Å
85H75.3Confident85.8Confident101 Ų10165.2 Ų65.247%0.46834%0.34SS..EExtended strand (participates in β ladder)trans-134.3145-17961.258.9000112.1D80 G83D80-H85 IonicContact OD2-CE1 3.84Å; G83-H85 VanDerWaalsContact C-N 3.31Å
86F86.8Confident85.9Confident10 Ų1066.3 Ų66.34%0.04435%0.349CS..EExtended strand (participates in β ladder)trans-90.3122.3169174.9-89.9000109L79 L88 L109 L139 P140 Q161 A162L79-F86 HydrophobicContact CD1-CD2 4Å; L79-F86 HydrophobicContact CD1-CE2 3.42Å; L79-F86 VanDerWaalsContact CD1-CE2 3.42Å; L79-F86 HydrophobicContact CD1-CZ 3.71Å; F86-L88 HydrophobicContact CE1-CB 3.67Å; F86-L88 HydrophobicContact CE1-CD2 4.44Å; F86-L88 HydrophobicContact CZ-CB 4.04Å; F86-L88 HydrophobicContact CZ-CD2 4.44Å; F86-L109 HydrophobicContact CE1-CD2 4.37Å; F86-L139 HydrophobicContact CD1-CD2 3.97Å; F86-L139 HydrophobicContact CE1-CD2 3.76Å; F86-L139 HydrophobicContact CE2-CD2 4.49Å; F86-L139 HydrophobicContact CG-CD2 4.45Å; F86-L139 HydrophobicContact CZ-CD2 4.04Å; F86-P140 HydrophobicContact CB-CG 3.86Å; F86-P140 HydrophobicContact CD2-CG 3.83Å; F86-P140 HydrophobicContact CG-CG 4.2Å; F86-Q161 CarbonylContact O-C 3.55Å; F86-Q161 WeakPolarHBondContact O-CA 3.36Å; F86-A162 HydrophobicContact CB-CB 4.23Å; F86-A162 HydrophobicContact CD1-CB 4.35Å; F86-A162 PolarHBondContact N-O 3.04Å; F86-A162 PolarHBondContact O-N 3.1Å
87G91.1Very high85.8Confident10 Ų1066.5 Ų66.510%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-119.5122174.500000111.2L79 D80L79-G87 CarbonylContact C-O 3.57Å; L79-G87 WeakPolarHBondContact CA-O 3.07Å; D80-G87 PolarHBondContact N-O 2.84Å; D80-G87 PolarHBondContact O-N 3.06Å; D80-G87 VanDerWaalsContact O-N 3.1Å
88L93.1Very high85.7Confident1 Ų167.7 Ų67.71%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-123126.1175.1175.866.6000109.5Y77 L79 F86 L90 L109 F137 H159 I160Y77-L88 HydrophobicContact CD2-CD1 4.16Å; L79-L88 HydrophobicContact CD1-CB 4.45Å; L79-L88 HydrophobicContact CD1-CD1 4.37Å; F86-L88 HydrophobicContact CE1-CB 3.67Å; F86-L88 HydrophobicContact CE1-CD2 4.44Å; F86-L88 HydrophobicContact CZ-CB 4.04Å; F86-L88 HydrophobicContact CZ-CD2 4.44Å; L88-L90 HydrophobicContact CD1-CD1 4.43Å; L88-L90 HydrophobicContact CD2-CD1 3.8Å; L88-L90 HydrophobicContact CG-CD1 3.74Å; L88-L90 HydrophobicContact CG-CG 4.4Å; L88-L109 HydrophobicContact CD2-CD2 3.86Å; L88-F137 HydrophobicContact CD1-CD1 3.91Å; L88-F137 HydrophobicContact CD1-CE1 3.79Å; L88-F137 HydrophobicContact CD1-CG 4.36Å; L88-F137 HydrophobicContact CD1-CZ 4.13Å; L88-F137 HydrophobicContact CD2-CB 4.17Å; L88-F137 HydrophobicContact CD2-CD1 4.02Å; L88-F137 HydrophobicContact CD2-CD2 3.46Å; L88-F137 VanDerWaalsContact CD2-CD2 3.46Å; L88-F137 HydrophobicContact CD2-CE1 4.28Å; L88-F137 HydrophobicContact CD2-CE2 3.77Å; L88-F137 HydrophobicContact CD2-CG 3.6Å; L88-F137 HydrophobicContact CD2-CZ 4.16Å; L88-H159 CarbonylContact O-C 3.59Å; L88-H159 WeakPolarHBondContact O-CA 3.4Å; L88-I160 HydrophobicContact CB-CB 4.34Å; L88-I160 HydrophobicContact CD2-CD1 4.31Å; L88-I160 PolarHBondContact N-O 3.25Å; L88-I160 PolarHBondContact O-N 3.01Å
89T95Very high85.7Confident36 Ų3663.2 Ų63.222%0.22134%0.339CS..EExtended strand (participates in β ladder)trans-118.9126.1174.5-59.30000109.3Y77 Q78 K157 L158 H159Y77-T89 CarbonylContact C-O 3.59Å; Y77-T89 WeakPolarHBondContact CA-O 3.36Å; Q78-T89 PolarHBondContact N-O 3.23Å; Q78-T89 PolarHBondContact O-N 2.73Å; T89-K157 HydrophobicContact CG2-CB 4.1Å; T89-K157 HydrophobicContact CG2-CD 4.12Å; T89-L158 CarbonylContact C-O 3.6Å; T89-L158 WeakPolarHBondContact CA-O 3.3Å; T89-H159 VanDerWaalsContact CG2-CE1 3.5Å; T89-H159 WeakPolarHBondContact CG2-CE1 3.5Å; T89-H159 WeakPolarHBondContact CG2-ND1 3.42Å; T89-H159 PolarHBondContact OG1-ND1 2.74Å
90L94.9Very high85.8Confident0 Ų061.6 Ų61.60%033%0.33CS..EExtended strand (participates in β ladder)trans-115.5139175.4-59.9100.6000111S76 L88 T92 V111 F137 K157 L158 I160S76-L90 WeakPolarHBondContact O-CA 3.24Å; L88-L90 HydrophobicContact CD1-CD1 4.43Å; L88-L90 HydrophobicContact CD2-CD1 3.8Å; L88-L90 HydrophobicContact CG-CD1 3.74Å; L88-L90 HydrophobicContact CG-CG 4.4Å; L90-T92 HydrophobicContact CB-CG2 4.2Å; L90-T92 PolarHBondContact O-N 3.21Å; L90-T92 VanDerWaalsContact O-N 3.13Å; L90-V111 HydrophobicContact CD1-CG1 4.43Å; L90-V111 HydrophobicContact CD1-CG2 4.28Å; L90-V111 HydrophobicContact CD2-CB 4.36Å; L90-V111 HydrophobicContact CD2-CG1 4.23Å; L90-F137 HydrophobicContact CD2-CE2 3.79Å; L90-F137 HydrophobicContact CD2-CZ 3.78Å; L90-F137 HydrophobicContact CG-CZ 4.44Å; L90-K157 CarbonylContact O-C 3.59Å; L90-K157 VanDerWaalsContact O-CA 3.3Å; L90-K157 WeakPolarHBondContact O-CA 3.35Å; L90-L158 HydrophobicContact CB-CB 4.45Å; L90-L158 HydrophobicContact CD1-CD2 4.32Å; L90-L158 PolarHBondContact N-O 2.92Å; L90-L158 PolarHBondContact O-N 3.32Å; L90-I160 HydrophobicContact CD1-CD1 3.97Å
91D94.7Very high86.1Confident66 Ų6659.9 Ų59.935%0.35332%0.324SS..EExtended strand (participates in β ladder)trans-83.579.1176.8-173.52.2000112.8V75 S76 Q93V75-D91 HydrophobicContact CG1-CB 4.16Å; V75-D91 WeakPolarHBondContact CG1-O 3.27Å; S76-D91 PolarHBondContact O-N 2.73Å; S76-D91 WeakPolarHBondContact OG-CB 3.38Å; D91-Q93 PolarHBondContact O-N 2.95Å; D91-Q93 VanDerWaalsContact O-N 3.15Å; D91-Q93 PolarHBondContact OD1-N 2.82Å
92T92.7Very high87.1Confident0 Ų055 Ų550%031%0.306CS..  trans-85.732.1-177.550.90000113.6L90 G94 F95 L100 F133 L152 G156 L158L90-T92 HydrophobicContact CB-CG2 4.2Å; L90-T92 PolarHBondContact O-N 3.21Å; L90-T92 VanDerWaalsContact O-N 3.13Å; T92-G94 PolarHBondContact O-N 2.87Å; T92-F95 WeakPolarHBondContact O-CD2 3.26Å; T92-F95 PolarHBondContact O-N 2.86Å; T92-F95 VanDerWaalsContact O-N 3.1Å; T92-L100 HydrophobicContact CG2-CD1 4.35Å; T92-L100 HydrophobicContact CG2-CD2 3.93Å; T92-F133 HydrophobicContact CG2-CE1 4.07Å; T92-F133 HydrophobicContact CG2-CZ 3.69Å; T92-L152 VanDerWaalsContact OG1-CD1 3.3Å; T92-L152 WeakPolarHBondContact OG1-CD1 3.31Å; T92-G156 CarbonylContact C-O 3.57Å; T92-G156 VanDerWaalsContact CA-O 3.26Å; T92-G156 WeakPolarHBondContact CA-O 3.38Å; T92-G156 PolarHBondContact N-O 3.47Å; T92-G156 PolarHBondContact OG1-O 2.92Å; T92-L158 HydrophobicContact CG2-CB 4.02Å
93Q89.7Confident88.6Confident137 Ų13755.7 Ų55.764%0.6430%0.302SS*.THydrogen-bonded Turntrans-56.2132179.5-172174.770.800111.1D91 G156D91-Q93 PolarHBondContact O-N 2.95Å; D91-Q93 VanDerWaalsContact O-N 3.15Å; D91-Q93 PolarHBondContact OD1-N 2.82Å; Q93-G156 PolarHBondContact N-O 3.2Å
94G86.9Confident89.8Confident29 Ų2955.1 Ų55.130%0.29929%0.285SS..THydrogen-bonded Turntrans92-7.3-178.800000115T92 K117T92-G94 PolarHBondContact O-N 2.87Å; G94-K117 WeakPolarHBondContact O-CE 3.49Å; G94-K117 PolarHBondContact O-NZ 2.85Å
95F91.2Very high90.8Very high14 Ų1454.3 Ų54.36%0.06129%0.288CS..  trans-98.2143.7170.1-64.3-89.4000111T92 D99 L100 G113 T115 Q131 F133T92-F95 WeakPolarHBondContact O-CD2 3.26Å; T92-F95 PolarHBondContact O-N 2.86Å; T92-F95 VanDerWaalsContact O-N 3.1Å; F95-D99 HydrophobicContact CB-CB 4.35Å; F95-D99 HydrophobicContact CD1-CB 4.08Å; F95-L100 HydrophobicContact CB-CD1 4.38Å; F95-L100 HydrophobicContact CB-CD2 3.83Å; F95-L100 HydrophobicContact CB-CG 4.01Å; F95-L100 HydrophobicContact CD1-CD2 4.4Å; F95-L100 HydrophobicContact CG-CD2 4.07Å; F95-G113 VanDerWaalsContact CE1-C 3.47Å; F95-T115 HydrophobicContact CD1-CG2 3.69Å; F95-T115 HydrophobicContact CE1-CG2 3.62Å; F95-T115 HydrophobicContact CG-CG2 4.39Å; F95-T115 HydrophobicContact CZ-CG2 4.28Å; F95-Q131 HydrophobicContact CE1-CB 4.4Å; F95-Q131 HydrophobicContact CE2-CG 4.11Å; F95-Q131 VanDerWaalsContact CE2-NE2 3.26Å; F95-Q131 HydrophobicContact CZ-CB 3.95Å; F95-Q131 HydrophobicContact CZ-CG 3.61Å; F95-F133 HydrophobicContact CD1-CE1 4.45Å; F95-F133 HydrophobicContact CD2-CD1 4.38Å; F95-F133 AromaticContact CD2-CE1 4Å; F95-F133 HydrophobicContact CD2-CE1 4Å; F95-F133 HydrophobicContact CE1-CD1 4.12Å; F95-F133 HydrophobicContact CE1-CE1 4.23Å; F95-F133 AromaticContact CE2-CD1 3.65Å; F95-F133 HydrophobicContact CE2-CD1 3.65Å; F95-F133 AromaticContact CE2-CE1 3.73Å; F95-F133 HydrophobicContact CE2-CE1 3.73Å; F95-F133 HydrophobicContact CG-CE1 4.35Å; F95-F133 AromaticContact CZ-CD1 3.5Å; F95-F133 HydrophobicContact CZ-CD1 3.5Å; F95-F133 AromaticContact CZ-CE1 3.86Å; F95-F133 HydrophobicContact CZ-CE1 3.86Å
96S90.5Very high91.3Very high39 Ų3952 Ų5227%0.27329%0.291SS..  trans-87.4163.616877.40000110.7E98 D99 L100S96-E98 WeakPolarHBondContact CB-OE2 3.36Å; S96-E98 PolarHBondContact O-N 2.57Å; S96-E98 PolarHBondContact OG-OE2 2.74Å; S96-D99 PolarHBondContact N-OD2 2.94Å; S96-D99 WeakPolarHBondContact O-CB 3.43Å; S96-D99 PolarHBondContact O-N 2.95Å; S96-D99 VanDerWaalsContact O-N 3.1Å; S96-D99 PolarHBondContact OG-N 2.72Å; S96-D99 PolarHBondContact OG-OD2 2.91Å; S96-L100 WeakPolarHBondContact O-CG 3.45Å
97P90.6Very high91.3Very high81 Ų8159.4 Ų59.453%0.52632%0.319SS..G310 helixtrans-53.6-34.5174.7-23.831.5000113.5D99 L100 L152P97-D99 VanDerWaalsContact C-N 3.33Å; P97-L100 PolarHBondContact O-N 3.19Å; P97-L152 HydrophobicContact CB-CD2 4.4Å; P97-L152 HydrophobicContact CG-CD2 3.72Å
98E92.4Very high91.3Very high152 Ų15263.4 Ų63.471%0.7133%0.333SS*.G310 helixtrans-73.7-26.7-178.2-50.676.4-159.900112.5S96 L100S96-E98 WeakPolarHBondContact CB-OE2 3.36Å; S96-E98 PolarHBondContact O-N 2.57Å; S96-E98 PolarHBondContact OG-OE2 2.74Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 2.9Å
99D91.7Very high91.2Very high51 Ų5163.4 Ų63.427%0.27333%0.333SS..G310 helixtrans-77.6-12.6177.4-67.6-27.1000112.6F95 S96 P97 G113 K114 T115F95-D99 HydrophobicContact CB-CB 4.35Å; F95-D99 HydrophobicContact CD1-CB 4.08Å; S96-D99 PolarHBondContact N-OD2 2.94Å; S96-D99 WeakPolarHBondContact O-CB 3.43Å; S96-D99 PolarHBondContact O-N 2.95Å; S96-D99 VanDerWaalsContact O-N 3.1Å; S96-D99 PolarHBondContact OG-N 2.72Å; S96-D99 PolarHBondContact OG-OD2 2.91Å; P97-D99 VanDerWaalsContact C-N 3.33Å; D99-G113 VanDerWaalsContact O-CA 3.24Å; D99-G113 WeakPolarHBondContact O-CA 3.45Å; D99-K114 WeakPolarHBondContact CB-O 3.49Å; D99-K114 PolarHBondContact O-N 2.69Å; D99-T115 WeakPolarHBondContact OD2-CB 3.4Å; D99-T115 PolarHBondContact OD2-OG1 3.01Å
100L93.8Very high91.1Very high27 Ų2766.3 Ų66.314%0.14134%0.34CS..EExtended strand (participates in β ladder)trans-101.8146.6-174-64.5172.7000112.3T92 F95 S96 P97 E98 S112 F133 L152T92-L100 HydrophobicContact CG2-CD1 4.35Å; T92-L100 HydrophobicContact CG2-CD2 3.93Å; F95-L100 HydrophobicContact CB-CD1 4.38Å; F95-L100 HydrophobicContact CB-CD2 3.83Å; F95-L100 HydrophobicContact CB-CG 4.01Å; F95-L100 HydrophobicContact CD1-CD2 4.4Å; F95-L100 HydrophobicContact CG-CD2 4.07Å; S96-L100 WeakPolarHBondContact O-CG 3.45Å; P97-L100 PolarHBondContact O-N 3.19Å; E98-L100 VanDerWaalsContact C-N 3.26Å; E98-L100 PolarHBondContact O-N 2.9Å; L100-S112 CarbonylContact C-O 3.57Å; L100-S112 WeakPolarHBondContact CA-O 3.35Å; L100-F133 HydrophobicContact CD2-CE1 3.76Å; L100-F133 HydrophobicContact CD2-CZ 3.77Å; L100-L152 HydrophobicContact CD1-CD1 4.04Å; L100-L152 HydrophobicContact CD1-CD2 4.32Å
101S93.9Very high91.1Very high33 Ų3366.3 Ų66.323%0.23134%0.34CS..EExtended strand (participates in β ladder)trans-140.5123.3175163.10000110.3R103 V111 S112S101-R103 PolarHBondContact OG-NE 3.46Å; S101-R103 VanDerWaalsContact OG-NE 3.16Å; S101-V111 WeakPolarHBondContact O-CA 3.41Å; S101-S112 PolarHBondContact N-O 3.43Å; S101-S112 PolarHBondContact O-N 2.96Å
102V93Very high91Very high46 Ų4664.4 Ų64.428%0.27933%0.332SS..EExtended strand (participates in β ladder)trans-110.9126.3172.5-177.70000108.5L109 V111 L158 I160V102-L109 HydrophobicContact CG1-CD1 3.61Å; V102-L109 HydrophobicContact CG1-CG 4.33Å; V102-V111 HydrophobicContact CG2-CG1 4.31Å; V102-V111 HydrophobicContact CG2-CG2 4.46Å; V102-L158 HydrophobicContact CG2-CD2 3.87Å; V102-I160 HydrophobicContact CG1-CD1 3.99Å; V102-I160 HydrophobicContact CG2-CD1 4.02Å
103R91.3Very high91Very high167 Ų16764.6 Ų64.663%0.6333%0.334SS*.EExtended strand (participates in β ladder)trans-137.1132.9-179.5-60.4-176.4-173.1-164.5-2.6110.6S101 R110S101-R103 PolarHBondContact OG-NE 3.46Å; S101-R103 VanDerWaalsContact OG-NE 3.16Å; R103-R110 PolarHBondContact N-O 2.76Å; R103-R110 PolarHBondContact O-N 2.78Å
104Q89.3Confident91.1Very high41 Ų4163.7 Ų63.719%0.19233%0.328CS..EExtended strand (participates in β ladder)trans-92.1128.1167.8-176.6169.5-7.500110G106 K108 L139 H145Q104-G106 WeakPolarHBondContact CG-O 3.38Å; Q104-G106 PolarHBondContact NE2-O 3.23Å; Q104-K108 WeakPolarHBondContact CA-O 3.47Å; Q104-L139 HydrophobicContact CG-CD1 3.88Å; Q104-H145 PolarHBondContact NE2-CD2 2.86Å; Q104-H145 PolarHBondContact NE2-NE2 2.57Å; Q104-H145 PolarHBondContact OE1-CD2 2.79Å
105V88.4Confident91.3Very high100 Ų10062.8 Ų62.861%0.60632%0.316SS*.EExtended strand (participates in β ladder)trans-126.596.1175.2-175.50000107.7R107 K108V105-R107 PolarHBondContact O-N 2.91Å; V105-K108 PolarHBondContact N-O 3.24Å; V105-K108 PolarHBondContact O-N 2.87Å; V105-K108 VanDerWaalsContact O-N 3.09Å
106G86.8Confident91.3Very high51 Ų5168.8 Ų68.853%0.52635%0.345SS..THydrogen-bonded Turntrans62.5-119.4-172.400000111.2Q104Q104-G106 WeakPolarHBondContact CG-O 3.38Å; Q104-G106 PolarHBondContact NE2-O 3.23Å
107R86.4Confident91.2Very high167 Ų16771.4 Ų71.463%0.6335%0.351SS*.THydrogen-bonded Turntrans-916.7176.8-63.2-166.9-62.8172.42114.1V105 L139 E141V105-R107 PolarHBondContact O-N 2.91Å; R107-L139 WeakPolarHBondContact O-CB 3.17Å; R107-L139 PolarHBondContact O-N 2.73Å; R107-E141 IonicContact NH1-OE1 2.78Å
108K90.2Very high91.1Very high93 Ų9373.1 Ų73.140%0.40435%0.351SS..EExtended strand (participates in β ladder)trans-109.8133.3-178.4-69.1-173.3161.7-1560111.3Q104 V105 E136 F137Q104-K108 WeakPolarHBondContact CA-O 3.47Å; V105-K108 PolarHBondContact N-O 3.24Å; V105-K108 PolarHBondContact O-N 2.87Å; V105-K108 VanDerWaalsContact O-N 3.09Å; K108-E136 IonicContact NZ-OE2 2.66Å; K108-E136 PolarHBondContact NZ-OE2 2.79Å; K108-F137 CarbonylContact C-O 3.51Å; K108-F137 WeakPolarHBondContact CA-O 3.37Å
109L91.7Very high90.9Very high1 Ų172.3 Ų72.31%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-97.7114.9169.5-17472000108.9F86 L88 V102 V111 E136 F137 L139 I160F86-L109 HydrophobicContact CE1-CD2 4.37Å; L88-L109 HydrophobicContact CD2-CD2 3.86Å; V102-L109 HydrophobicContact CG1-CD1 3.61Å; V102-L109 HydrophobicContact CG1-CG 4.33Å; L109-V111 HydrophobicContact CD2-CG2 4.48Å; L109-V111 HydrophobicContact CG-CG2 4.36Å; L109-E136 CarbonylContact O-C 3.53Å; L109-E136 WeakPolarHBondContact O-CA 3.5Å; L109-F137 HydrophobicContact CB-CB 4.46Å; L109-F137 PolarHBondContact N-O 3.27Å; L109-F137 PolarHBondContact O-N 3.38Å; L109-L139 HydrophobicContact CB-CD1 4.17Å; L109-L139 HydrophobicContact CB-CD2 4.11Å; L109-L139 HydrophobicContact CB-CG 3.97Å; L109-L139 HydrophobicContact CD2-CD2 4.38Å; L109-I160 HydrophobicContact CD2-CB 4.36Å; L109-I160 HydrophobicContact CD2-CD1 3.83Å; L109-I160 HydrophobicContact CD2-CG2 3.74Å
110R92.9Very high90.8Very high97 Ų9775.1 Ų75.137%0.36636%0.358SS..EExtended strand (participates in β ladder)trans-104.1120.3177.7-177.6167.8167.9171-5.5110R103 Q135 E136R103-R110 PolarHBondContact N-O 2.76Å; R103-R110 PolarHBondContact O-N 2.78Å; R110-Q135 WeakPolarHBondContact CA-O 3.33Å; R110-E136 HydrophobicContact CB-CG 4.22Å; R110-E136 HydrophobicContact CG-CG 4.11Å
111V94.2Very high90.2Very high0 Ų078.9 Ų78.90%038%0.379CS..EExtended strand (participates in β ladder)trans-113.1130177.1-171.40000108.4L90 S101 V102 L109 F133 R134 Q135 F137 L158 I160L90-V111 HydrophobicContact CD1-CG1 4.43Å; L90-V111 HydrophobicContact CD1-CG2 4.28Å; L90-V111 HydrophobicContact CD2-CB 4.36Å; L90-V111 HydrophobicContact CD2-CG1 4.23Å; S101-V111 WeakPolarHBondContact O-CA 3.41Å; V102-V111 HydrophobicContact CG2-CG1 4.31Å; V102-V111 HydrophobicContact CG2-CG2 4.46Å; L109-V111 HydrophobicContact CD2-CG2 4.48Å; L109-V111 HydrophobicContact CG-CG2 4.36Å; V111-F133 HydrophobicContact CB-CE2 4.47Å; V111-F133 HydrophobicContact CG1-CE2 3.87Å; V111-F133 HydrophobicContact CG1-CZ 4.14Å; V111-R134 WeakPolarHBondContact O-CA 3.37Å; V111-Q135 PolarHBondContact N-O 3.26Å; V111-Q135 PolarHBondContact O-N 2.87Å; V111-F137 HydrophobicContact CG2-CD2 4.36Å; V111-F137 HydrophobicContact CG2-CE2 4.25Å; V111-L158 HydrophobicContact CG1-CD2 3.73Å; V111-I160 HydrophobicContact CG2-CD1 3.68Å
112S93.3Very high89.6Confident27 Ų2780.8 Ų80.819%0.18940%0.403CS..EExtended strand (participates in β ladder)trans-140.2148176.6570000111L100 S101 F133L100-S112 CarbonylContact C-O 3.57Å; L100-S112 WeakPolarHBondContact CA-O 3.35Å; S101-S112 PolarHBondContact N-O 3.43Å; S101-S112 PolarHBondContact O-N 2.96Å; S112-F133 VanDerWaalsContact CA-O 3.26Å; S112-F133 WeakPolarHBondContact CA-O 3.47Å
113G93.3Very high89.3Confident3 Ų387.1 Ų87.13%0.03143%0.427CS..EExtended strand (participates in β ladder)trans-138.4142.4171.600000110.9F95 D99 E132 F133F95-G113 VanDerWaalsContact CE1-C 3.47Å; D99-G113 VanDerWaalsContact O-CA 3.24Å; D99-G113 WeakPolarHBondContact O-CA 3.45Å; G113-E132 CarbonylContact O-C 3.1Å; G113-E132 VanDerWaalsContact O-CA 3.27Å; G113-E132 WeakPolarHBondContact O-CA 3.48Å; G113-F133 VanDerWaalsContact CA-CE1 3.48Å; G113-F133 PolarHBondContact N-O 3.45Å; G113-F133 PolarHBondContact O-N 3.28Å
114K92.1Very high88.9Confident119 Ų11981.7 Ų81.752%0.51742%0.423SS..EExtended strand (participates in β ladder)trans-141.1120.8173-175.9-178.4177.5-175.50109.6D99 L130 Q131 E132D99-K114 WeakPolarHBondContact CB-O 3.49Å; D99-K114 PolarHBondContact O-N 2.69Å; K114-L130 HydrophobicContact CG-CD1 4.21Å; K114-Q131 WeakPolarHBondContact CA-O 3.04Å; K114-E132 HydrophobicContact CB-CG 4.25Å; K114-E132 HydrophobicContact CG-CB 4.41Å; K114-E132 HydrophobicContact CG-CG 4.39Å
115T90.4Very high88.7Confident9 Ų983 Ų836%0.05544%0.437CS..EExtended strand (participates in β ladder)trans-132.9141.6179.2-167.50000110.7F95 D99 L130 Q131F95-T115 HydrophobicContact CD1-CG2 3.69Å; F95-T115 HydrophobicContact CE1-CG2 3.62Å; F95-T115 HydrophobicContact CG-CG2 4.39Å; F95-T115 HydrophobicContact CZ-CG2 4.28Å; D99-T115 WeakPolarHBondContact OD2-CB 3.4Å; D99-T115 PolarHBondContact OD2-OG1 3.01Å; T115-L130 WeakPolarHBondContact O-CA 3.29Å; T115-L130 WeakPolarHBondContact O-CD1 3.5Å; T115-Q131 HydrophobicContact CG2-CB 3.89Å; T115-Q131 PolarHBondContact N-O 3.01Å; T115-Q131 PolarHBondContact O-N 2.82Å
116E90.9Very high88.5Confident140 Ų14084.2 Ų84.265%0.65443%0.431SS*.EExtended strand (participates in β ladder)trans-124.4124.5175.2-176.5179.1173.700108.5S129 L130E116-S129 WeakPolarHBondContact CA-O 3.24Å; E116-L130 HydrophobicContact CB-CD1 4.22Å
117K88.1Confident88.3Confident95 Ų9584.4 Ų84.441%0.41343%0.425SS..EExtended strand (participates in β ladder)trans-121.8134.9178.9-57.3177.3-177.9171.60109.8G94 Y128 S129G94-K117 WeakPolarHBondContact O-CE 3.49Å; G94-K117 PolarHBondContact O-NZ 2.85Å; K117-Y128 CarbonylContact O-C 3.58Å; K117-Y128 WeakPolarHBondContact O-CA 3.1Å; K117-S129 WeakPolarHBondContact CB-OG 3.38Å; K117-S129 PolarHBondContact N-O 2.66Å; K117-S129 PolarHBondContact O-N 2.67Å
118K89.9Confident88.3Confident117 Ų11783.1 Ų83.151%0.50942%0.421SS..EExtended strand (participates in β ladder)trans-108.2123.7169.9-178.5-178.7177.3172.40108.1Y126 S127 Y128K118-Y126 HydrophobicContact CD-CD1 4.4Å; K118-Y126 HydrophobicContact CG-CD1 4.45Å; K118-S127 CarbonylContact C-O 3.47Å; K118-S127 WeakPolarHBondContact CA-O 3.34Å; K118-Y128 HydrophobicContact CB-CD1 4.05Å; K118-Y128 HydrophobicContact CB-CE1 3.95Å; K118-Y128 HydrophobicContact CD-CD1 4.49Å; K118-Y128 HydrophobicContact CD-CE1 3.59Å; K118-Y128 VanDerWaalsContact CE-OH 3.24Å; K118-Y128 WeakPolarHBondContact CE-OH 3.47Å; K118-Y128 HydrophobicContact CG-CD1 4.09Å; K118-Y128 HydrophobicContact CG-CE1 3.66Å; K118-Y128 PolarHBondContact NZ-OH 3.15Å
119Q86.8Confident88Confident134 Ų13480.8 Ų80.863%0.62642%0.416SS*.EExtended strand (participates in β ladder)trans-117.7139.6176.3-178.2176.919.200109.2Y126 S127Q119-Y126 CarbonylContact O-C 3.54Å; Q119-Y126 WeakPolarHBondContact O-CA 3.45Å; Q119-S127 WeakPolarHBondContact CB-OG 3.4Å; Q119-S127 PolarHBondContact N-O 3.42Å; Q119-S127 PolarHBondContact O-N 3.46Å
120E89.8Confident87.8Confident110 Ų11085.2 Ų85.251%0.51444%0.439SS..EExtended strand (participates in β ladder)trans-111128176.4-176.3175.7-172.500108.5G122 S125 Y126E120-G122 PolarHBondContact O-N 3.22Å; E120-S125 WeakPolarHBondContact CA-O 3.17Å; E120-Y126 HydrophobicContact CB-CD1 3.92Å; E120-Y126 HydrophobicContact CB-CE1 3.95Å; E120-Y126 HydrophobicContact CG-CD1 4.01Å; E120-Y126 HydrophobicContact CG-CE1 3.76Å
121D80.7Confident87.6Confident107 Ų10784.9 Ų84.957%0.57244%0.442SS*.  trans-81.912.5-174.8-172.836000113.2K123 S125D121-K123 PolarHBondContact O-N 2.84Å; D121-S125 PolarHBondContact N-O 2.96Å
122G81.7Confident87.4Confident73 Ų7386.9 Ų86.975%0.75345%0.451SS*.SBendtrans63.6-13.1-17600000115.3E120E120-G122 PolarHBondContact O-N 3.22Å
123K86.5Confident87.3Confident179 Ų17985.7 Ų85.778%0.77844%0.442SS*.SBendtrans-93.811174.3-66.8179.9179.8177.80113.1D121 S125D121-K123 PolarHBondContact O-N 2.84Å; K123-S125 VanDerWaalsContact C-N 3.35Å
124G83.7Confident87.3Confident52 Ų5292 Ų9254%0.53647%0.465SS..SBendtrans83.16.5-177.900000114.9
125S84.4Confident87.3Confident70 Ų7087.3 Ų87.349%0.4945%0.445SS..  trans-92.8141173-58.90000110.8E120 D121 K123E120-S125 WeakPolarHBondContact CA-O 3.17Å; D121-S125 PolarHBondContact N-O 2.96Å; K123-S125 VanDerWaalsContact C-N 3.35Å
126Y85.1Confident87.4Confident125 Ų12591.6 Ų91.649%0.4947%0.465SS..EExtended strand (participates in β ladder)trans-114.7132.7174.1-60.9-80.1000110.6K118 Q119 E120K118-Y126 HydrophobicContact CD-CD1 4.4Å; K118-Y126 HydrophobicContact CG-CD1 4.45Å; Q119-Y126 CarbonylContact O-C 3.54Å; Q119-Y126 WeakPolarHBondContact O-CA 3.45Å; E120-Y126 HydrophobicContact CB-CD1 3.92Å; E120-Y126 HydrophobicContact CB-CE1 3.95Å; E120-Y126 HydrophobicContact CG-CD1 4.01Å; E120-Y126 HydrophobicContact CG-CE1 3.76Å
127S83Confident87.4Confident55 Ų5585.8 Ų85.839%0.38544%0.437SS..EExtended strand (participates in β ladder)trans-109.3144167.362.30000110.3K118 Q119K118-S127 CarbonylContact C-O 3.47Å; K118-S127 WeakPolarHBondContact CA-O 3.34Å; Q119-S127 WeakPolarHBondContact CB-OG 3.4Å; Q119-S127 PolarHBondContact N-O 3.42Å; Q119-S127 PolarHBondContact O-N 3.46Å
128Y85.4Confident87.5Confident140 Ų14086.7 Ų86.755%0.54945%0.447SS..EExtended strand (participates in β ladder)trans-120.8128175.6-66.2-95.1000108.3K117 K118K117-Y128 CarbonylContact O-C 3.58Å; K117-Y128 WeakPolarHBondContact O-CA 3.1Å; K118-Y128 HydrophobicContact CB-CD1 4.05Å; K118-Y128 HydrophobicContact CB-CE1 3.95Å; K118-Y128 HydrophobicContact CD-CD1 4.49Å; K118-Y128 HydrophobicContact CD-CE1 3.59Å; K118-Y128 VanDerWaalsContact CE-OH 3.24Å; K118-Y128 WeakPolarHBondContact CE-OH 3.47Å; K118-Y128 HydrophobicContact CG-CD1 4.09Å; K118-Y128 HydrophobicContact CG-CE1 3.66Å; K118-Y128 PolarHBondContact NZ-OH 3.15Å
129S84.1Confident87.3Confident44 Ų4481.7 Ų81.731%0.30843%0.426SS..EExtended strand (participates in β ladder)trans-121.5124.8174.8670000110E116 K117E116-S129 WeakPolarHBondContact CA-O 3.24Å; K117-S129 WeakPolarHBondContact CB-OG 3.38Å; K117-S129 PolarHBondContact N-O 2.66Å; K117-S129 PolarHBondContact O-N 2.67Å
130L88.1Confident87.2Confident93 Ų9377.4 Ų77.449%0.48741%0.409SS..EExtended strand (participates in β ladder)trans-111.3125.4172.4177.370.6000108.7K114 T115 E116K114-L130 HydrophobicContact CG-CD1 4.21Å; T115-L130 WeakPolarHBondContact O-CA 3.29Å; T115-L130 WeakPolarHBondContact O-CD1 3.5Å; E116-L130 HydrophobicContact CB-CD1 4.22Å
131Q87.8Confident86.7Confident91 Ų9178.9 Ų78.943%0.42542%0.416SS..EExtended strand (participates in β ladder)trans-122.1130174.1-163.9-176.2-21.400109.1F95 K114 T115F95-Q131 HydrophobicContact CE1-CB 4.4Å; F95-Q131 HydrophobicContact CE2-CG 4.11Å; F95-Q131 VanDerWaalsContact CE2-NE2 3.26Å; F95-Q131 HydrophobicContact CZ-CB 3.95Å; F95-Q131 HydrophobicContact CZ-CG 3.61Å; K114-Q131 WeakPolarHBondContact CA-O 3.04Å; T115-Q131 HydrophobicContact CG2-CB 3.89Å; T115-Q131 PolarHBondContact N-O 3.01Å; T115-Q131 PolarHBondContact O-N 2.82Å
132E90.7Very high86.3Confident41 Ų4175.7 Ų75.719%0.19241%0.408CS..EExtended strand (participates in β ladder)trans-138.2137.1176.8-173.2177.7174.300110.3L72 G113 K114 R134L72-E132 HydrophobicContact CD2-CB 3.82Å; L72-E132 HydrophobicContact CD2-CG 3.6Å; G113-E132 CarbonylContact O-C 3.1Å; G113-E132 VanDerWaalsContact O-CA 3.27Å; G113-E132 WeakPolarHBondContact O-CA 3.48Å; K114-E132 HydrophobicContact CB-CG 4.25Å; K114-E132 HydrophobicContact CG-CB 4.41Å; K114-E132 HydrophobicContact CG-CG 4.39Å; E132-R134 IonicContact OE1-CZ 3.99Å; E132-R134 IonicContact OE1-NE 2.67Å; E132-R134 PolarHBondContact OE1-NE 3.16Å; E132-R134 IonicContact OE1-NH2 3.15Å; E132-R134 PolarHBondContact OE1-NH2 2.9Å
133F91.9Very high86.1Confident2 Ų272.9 Ų72.91%0.00938%0.376CS..EExtended strand (participates in β ladder)trans-137.7154.6170.177.9-87.9000111.5Q73 V75 T92 F95 L100 V111 S112 G113Q73-F133 WeakPolarHBondContact O-CB 3.31Å; V75-F133 HydrophobicContact CB-CD2 4.3Å; V75-F133 HydrophobicContact CB-CG 4.45Å; V75-F133 HydrophobicContact CG2-CB 3.72Å; V75-F133 HydrophobicContact CG2-CD1 3.55Å; V75-F133 HydrophobicContact CG2-CD2 3.64Å; V75-F133 HydrophobicContact CG2-CE1 4Å; V75-F133 HydrophobicContact CG2-CE2 4.09Å; V75-F133 HydrophobicContact CG2-CG 3.35Å; V75-F133 HydrophobicContact CG2-CZ 4.26Å; T92-F133 HydrophobicContact CG2-CE1 4.07Å; T92-F133 HydrophobicContact CG2-CZ 3.69Å; F95-F133 HydrophobicContact CD1-CE1 4.45Å; F95-F133 HydrophobicContact CD2-CD1 4.38Å; F95-F133 AromaticContact CD2-CE1 4Å; F95-F133 HydrophobicContact CD2-CE1 4Å; F95-F133 HydrophobicContact CE1-CD1 4.12Å; F95-F133 HydrophobicContact CE1-CE1 4.23Å; F95-F133 AromaticContact CE2-CD1 3.65Å; F95-F133 HydrophobicContact CE2-CD1 3.65Å; F95-F133 AromaticContact CE2-CE1 3.73Å; F95-F133 HydrophobicContact CE2-CE1 3.73Å; F95-F133 HydrophobicContact CG-CE1 4.35Å; F95-F133 AromaticContact CZ-CD1 3.5Å; F95-F133 HydrophobicContact CZ-CD1 3.5Å; F95-F133 AromaticContact CZ-CE1 3.86Å; F95-F133 HydrophobicContact CZ-CE1 3.86Å; L100-F133 HydrophobicContact CD2-CE1 3.76Å; L100-F133 HydrophobicContact CD2-CZ 3.77Å; V111-F133 HydrophobicContact CB-CE2 4.47Å; V111-F133 HydrophobicContact CG1-CE2 3.87Å; V111-F133 HydrophobicContact CG1-CZ 4.14Å; S112-F133 VanDerWaalsContact CA-O 3.26Å; S112-F133 WeakPolarHBondContact CA-O 3.47Å; G113-F133 VanDerWaalsContact CA-CE1 3.48Å; G113-F133 PolarHBondContact N-O 3.45Å; G113-F133 PolarHBondContact O-N 3.28Å
134R92.4Very high85.5Confident135 Ų13568.6 Ų68.651%0.50936%0.362SS..EExtended strand (participates in β ladder)trans-144.7124.8172.9-60.3-178.9-174.9-176.40.8108.8V111 E132V111-R134 WeakPolarHBondContact O-CA 3.37Å; E132-R134 IonicContact OE1-CZ 3.99Å; E132-R134 IonicContact OE1-NE 2.67Å; E132-R134 PolarHBondContact OE1-NE 3.16Å; E132-R134 IonicContact OE1-NH2 3.15Å; E132-R134 PolarHBondContact OE1-NH2 2.9Å
135Q92Very high85Confident21 Ų2171.9 Ų71.910%0.09836%0.363CS..EExtended strand (participates in β ladder)trans-135.2146.4177.1-75.2175.1-61.800110.4P74 V75 R110 V111 F137P74-Q135 HydrophobicContact CB-CG 4.26Å; V75-Q135 PolarHBondContact O-NE2 3.33Å; V75-Q135 PolarHBondContact O-OE1 3.41Å; R110-Q135 WeakPolarHBondContact CA-O 3.33Å; V111-Q135 PolarHBondContact N-O 3.26Å; V111-Q135 PolarHBondContact O-N 2.87Å; Q135-F137 HydrophobicContact CB-CE2 3.58Å; Q135-F137 HydrophobicContact CB-CZ 3.79Å
136E93Very high84.6Confident99 Ų9977.5 Ų77.546%0.46338%0.382SS..EExtended strand (participates in β ladder)trans-122139.3176.1-66.3-172.5175.400109.2K108 L109 R110K108-E136 IonicContact NZ-OE2 2.66Å; K108-E136 PolarHBondContact NZ-OE2 2.79Å; L109-E136 CarbonylContact O-C 3.53Å; L109-E136 WeakPolarHBondContact O-CA 3.5Å; R110-E136 HydrophobicContact CB-CG 4.22Å; R110-E136 HydrophobicContact CG-CG 4.11Å
137F91.3Very high84.2Confident18 Ų1874.5 Ų74.58%0.07937%0.374CS..EExtended strand (participates in β ladder)trans-130.9141.1179-55.3-89.3000109.1Y77 L88 L90 K108 L109 V111 Q135Y77-F137 HydrophobicContact CD1-CE1 4.02Å; Y77-F137 HydrophobicContact CD1-CZ 4.31Å; Y77-F137 AromaticContact CD2-CE1 3.79Å; Y77-F137 HydrophobicContact CD2-CE1 3.79Å; Y77-F137 HydrophobicContact CE1-CE1 4.3Å; Y77-F137 HydrophobicContact CE2-CE1 4.09Å; Y77-F137 AromaticContact CG-CE1 3.76Å; Y77-F137 HydrophobicContact CG-CE1 3.76Å; Y77-F137 HydrophobicContact CG-CZ 4.15Å; L88-F137 HydrophobicContact CD1-CD1 3.91Å; L88-F137 HydrophobicContact CD1-CE1 3.79Å; L88-F137 HydrophobicContact CD1-CG 4.36Å; L88-F137 HydrophobicContact CD1-CZ 4.13Å; L88-F137 HydrophobicContact CD2-CB 4.17Å; L88-F137 HydrophobicContact CD2-CD1 4.02Å; L88-F137 HydrophobicContact CD2-CD2 3.46Å; L88-F137 VanDerWaalsContact CD2-CD2 3.46Å; L88-F137 HydrophobicContact CD2-CE1 4.28Å; L88-F137 HydrophobicContact CD2-CE2 3.77Å; L88-F137 HydrophobicContact CD2-CG 3.6Å; L88-F137 HydrophobicContact CD2-CZ 4.16Å; L90-F137 HydrophobicContact CD2-CE2 3.79Å; L90-F137 HydrophobicContact CD2-CZ 3.78Å; L90-F137 HydrophobicContact CG-CZ 4.44Å; K108-F137 CarbonylContact C-O 3.51Å; K108-F137 WeakPolarHBondContact CA-O 3.37Å; L109-F137 HydrophobicContact CB-CB 4.46Å; L109-F137 PolarHBondContact N-O 3.27Å; L109-F137 PolarHBondContact O-N 3.38Å; V111-F137 HydrophobicContact CG2-CD2 4.36Å; V111-F137 HydrophobicContact CG2-CE2 4.25Å; Q135-F137 HydrophobicContact CB-CE2 3.58Å; Q135-F137 HydrophobicContact CB-CZ 3.79Å
138D89.4Confident84.3Confident115 Ų11573.6 Ų73.662%0.61537%0.366SS*.EExtended strand (participates in β ladder)trans-82.1129.1174.7-63.3-57.1000109.8
139L86.6Confident84.5Confident12 Ų1269.7 Ų69.76%0.06336%0.36CS..PPolyproline II helixtrans-84.4148.5173.4-68.8170.5000110.3F86 Q104 R107 L109F86-L139 HydrophobicContact CD1-CD2 3.97Å; F86-L139 HydrophobicContact CE1-CD2 3.76Å; F86-L139 HydrophobicContact CE2-CD2 4.49Å; F86-L139 HydrophobicContact CG-CD2 4.45Å; F86-L139 HydrophobicContact CZ-CD2 4.04Å; Q104-L139 HydrophobicContact CG-CD1 3.88Å; R107-L139 WeakPolarHBondContact O-CB 3.17Å; R107-L139 PolarHBondContact O-N 2.73Å; L109-L139 HydrophobicContact CB-CD1 4.17Å; L109-L139 HydrophobicContact CB-CD2 4.11Å; L109-L139 HydrophobicContact CB-CG 3.97Å; L109-L139 HydrophobicContact CD2-CD2 4.38Å
140P83.2Confident84.8Confident43 Ų4371.3 Ų71.328%0.27937%0.37SS..PPolyproline II helixtrans-59.6158.2171.7-18.929000112.8F86 V143F86-P140 HydrophobicContact CB-CG 3.86Å; F86-P140 HydrophobicContact CD2-CG 3.83Å; F86-P140 HydrophobicContact CG-CG 4.2Å; P140-V143 HydrophobicContact CB-CG2 4.1Å; P140-V143 HydrophobicContact CG-CG2 4.27Å
141E79.6Confident85Confident142 Ų14271 Ų7166%0.66437%0.366SS*.THydrogen-bonded Turntrans-69138.6175.3-162.8154.6-13300110.9R107R107-E141 IonicContact NH1-OE1 2.78Å
142G72.7Confident85.2Confident39 Ų3969.4 Ų69.440%0.40236%0.36SS..THydrogen-bonded Turntrans85.94.1-179.300000115.8V165G142-V165 WeakPolarHBondContact O-CG2 3.13Å
143V78.2Confident85.3Confident14 Ų1468.7 Ų68.79%0.08536%0.36CS..  trans-79.5119.5173.3174.10000110.6P140 V148 A162P140-V143 HydrophobicContact CB-CG2 4.1Å; P140-V143 HydrophobicContact CG-CG2 4.27Å; V143-V148 HydrophobicContact CG1-CG2 3.91Å; V143-A162 HydrophobicContact CG1-CB 3.63Å; V143-A162 HydrophobicContact CG2-CB 4.35Å
144N73Confident85.2Confident89 Ų8975.5 Ų75.548%0.47640%0.404SS..  trans-83.6157.5172.6-55.1-63.9000111.5E146 D147N144-E146 PolarHBondContact O-N 3.45Å; N144-D147 WeakPolarHBondContact CB-OD2 3.33Å; N144-D147 PolarHBondContact ND2-OD2 2.94Å; N144-D147 PolarHBondContact O-N 3.47Å
145H72.7Confident85.2Confident121 Ų12172.8 Ų72.856%0.5640%0.399SS*.G310 helixtrans-62.6-30.1178.1-66.4-155.3000112.5Q104 D147Q104-H145 PolarHBondContact NE2-CD2 2.86Å; Q104-H145 PolarHBondContact NE2-NE2 2.57Å; Q104-H145 PolarHBondContact OE1-CD2 2.79Å; H145-D147 VanDerWaalsContact C-N 3.32Å
146E76.4Confident85Confident188 Ų18872.4 Ų72.488%0.87940%0.401SS*.G310 helixtrans-76-21.8-179.7-56.5-171.3176.600112.6N144 V148N144-E146 PolarHBondContact O-N 3.45Å; E146-V148 VanDerWaalsContact C-N 3.33Å
147D77.9Confident85.1Confident63 Ų6371.3 Ų71.334%0.33740%0.395SS..G310 helixtrans-87.7-4.4-178.3-60.7-41.6000112.5N144 H145 A163N144-D147 WeakPolarHBondContact CB-OD2 3.33Å; N144-D147 PolarHBondContact ND2-OD2 2.94Å; N144-D147 PolarHBondContact O-N 3.47Å; H145-D147 VanDerWaalsContact C-N 3.32Å; D147-A163 HydrophobicContact CB-CB 4.45Å
148V84.9Confident85.3Confident36 Ų3670.8 Ų70.822%0.21839%0.393CS..EExtended strand (participates in β ladder)trans-87.3116.6176.5-1760000109.4V143 E146 I160 Q161 A162V143-V148 HydrophobicContact CG1-CG2 3.91Å; E146-V148 VanDerWaalsContact C-N 3.33Å; V148-I160 HydrophobicContact CG1-CG2 3.83Å; V148-Q161 WeakPolarHBondContact CA-O 3.39Å; V148-A162 HydrophobicContact CG2-CB 4.03Å
149S88.4Confident85.5Confident58 Ų5867 Ų6741%0.40637%0.372SS..EExtended strand (participates in β ladder)trans-111.6145.5173.666.40000110.7I160 Q161S149-I160 WeakPolarHBondContact O-CA 3.35Å; S149-Q161 PolarHBondContact N-O 3.38Å; S149-Q161 PolarHBondContact O-N 3.41Å; S149-Q161 PolarHBondContact OG-O 2.86Å
150C90.4Very high85.8Confident77 Ų7766.5 Ų66.552%0.5237%0.369SS..EExtended strand (participates in β ladder)trans-136145.7176.163.40000111.5H159 I160C150-H159 CarbonylContact C-O 3.57Å; C150-H159 VanDerWaalsContact CA-O 3.25Å; C150-H159 WeakPolarHBondContact CA-O 3.45Å; C150-I160 HydrophobicContact CB-CG1 4.16Å
151H92.2Very high86.1Confident87 Ų8769.5 Ų69.540%0.40338%0.379SS..EExtended strand (participates in β ladder)trans-149.4145.8173.261.7-85.5000110.7H159H151-H159 AromaticContact CD2-CD2 3.73Å; H151-H159 WeakPolarHBondContact CE1-CB 3.39Å; H151-H159 AromaticContact CE1-CG 3.98Å; H151-H159 PolarHBondContact N-O 3.36Å; H151-H159 WeakPolarHBondContact NE2-CB 3.34Å; H151-H159 AromaticContact NE2-CD2 3.41Å; H151-H159 PolarHBondContact NE2-CD2 3.5Å; H151-H159 AromaticContact NE2-CG 3.56Å; H151-H159 PolarHBondContact O-N 3.42Å
152L93Very high86.4Confident57 Ų5762.9 Ų62.930%0.29835%0.349SS..EExtended strand (participates in β ladder)trans-100.6120.9174.3-17470.6000109.1T92 P97 L100 L158T92-L152 VanDerWaalsContact OG1-CD1 3.3Å; T92-L152 WeakPolarHBondContact OG1-CD1 3.31Å; P97-L152 HydrophobicContact CB-CD2 4.4Å; P97-L152 HydrophobicContact CG-CD2 3.72Å; L100-L152 HydrophobicContact CD1-CD1 4.04Å; L100-L152 HydrophobicContact CD1-CD2 4.32Å; L152-L158 HydrophobicContact CD1-CB 4.1Å
153S92.9Very high86.6Confident27 Ų2763.5 Ų63.519%0.18935%0.35CS..  trans-77.9152.9176.4-720000111.4D155 G156 K157 H159S153-D155 WeakPolarHBondContact CB-OD1 3.25Å; S153-D155 PolarHBondContact O-N 2.86Å; S153-D155 VanDerWaalsContact O-N 3.12Å; S153-G156 PolarHBondContact O-N 3.36Å; S153-K157 PolarHBondContact N-O 3.5Å; S153-H159 PolarHBondContact OG-CD2 2.9Å; S153-H159 PolarHBondContact OG-NE2 3.18Å
154P89.9Confident86.1Confident144 Ų14467 Ų6794%0.93536%0.364SS*.THydrogen-bonded Turntrans-61.2-20178.6-2333.3000114.6G156P154-G156 PolarHBondContact O-N 3.01Å
155D90.9Very high85.5Confident78 Ų7865.9 Ų65.942%0.41736%0.361SS..THydrogen-bonded Turntrans-77.90.3174.469.1-22.8000113.1S153 K157S153-D155 WeakPolarHBondContact CB-OD1 3.25Å; S153-D155 PolarHBondContact O-N 2.86Å; S153-D155 VanDerWaalsContact O-N 3.12Å; D155-K157 PolarHBondContact OD1-N 2.91Å; D155-K157 VanDerWaalsContact OD2-CD 3.3Å; D155-K157 WeakPolarHBondContact OD2-CD 3.39Å; D155-K157 WeakPolarHBondContact OD2-CE 3.42Å; D155-K157 IonicContact OD2-NZ 3.77Å; D155-K157 PolarHBondContact OD2-NZ 3.37Å
156G89.3Confident84.6Confident14 Ų1464.2 Ų64.214%0.14436%0.36CS..SBendtrans89.59.3177.900000114.1T92 Q93 S153 P154T92-G156 CarbonylContact C-O 3.57Å; T92-G156 VanDerWaalsContact CA-O 3.26Å; T92-G156 WeakPolarHBondContact CA-O 3.38Å; T92-G156 PolarHBondContact N-O 3.47Å; T92-G156 PolarHBondContact OG1-O 2.92Å; Q93-G156 PolarHBondContact N-O 3.2Å; S153-G156 PolarHBondContact O-N 3.36Å; P154-G156 PolarHBondContact O-N 3.01Å
157K94.6Very high83Confident75 Ų7559.8 Ų59.833%0.32635%0.349SS..EExtended strand (participates in β ladder)trans-93.6128179.4-64.8-177-167.8129.60112.5T89 L90 S153 D155 H159T89-K157 HydrophobicContact CG2-CB 4.1Å; T89-K157 HydrophobicContact CG2-CD 4.12Å; L90-K157 CarbonylContact O-C 3.59Å; L90-K157 VanDerWaalsContact O-CA 3.3Å; L90-K157 WeakPolarHBondContact O-CA 3.35Å; S153-K157 PolarHBondContact N-O 3.5Å; D155-K157 PolarHBondContact OD1-N 2.91Å; D155-K157 VanDerWaalsContact OD2-CD 3.3Å; D155-K157 WeakPolarHBondContact OD2-CD 3.39Å; D155-K157 WeakPolarHBondContact OD2-CE 3.42Å; D155-K157 IonicContact OD2-NZ 3.77Å; D155-K157 PolarHBondContact OD2-NZ 3.37Å; K157-H159 PolarHBondContact O-CD2 2.99Å
158L95.3Very high81.4Confident8 Ų863.8 Ų63.84%0.04237%0.369CS..EExtended strand (participates in β ladder)trans-88.9116.7174.1177.564.4000109.2T89 L90 T92 V102 V111 L152 I160T89-L158 CarbonylContact C-O 3.6Å; T89-L158 WeakPolarHBondContact CA-O 3.3Å; L90-L158 HydrophobicContact CB-CB 4.45Å; L90-L158 HydrophobicContact CD1-CD2 4.32Å; L90-L158 PolarHBondContact N-O 2.92Å; L90-L158 PolarHBondContact O-N 3.32Å; T92-L158 HydrophobicContact CG2-CB 4.02Å; V102-L158 HydrophobicContact CG2-CD2 3.87Å; V111-L158 HydrophobicContact CG1-CD2 3.73Å; L152-L158 HydrophobicContact CD1-CB 4.1Å; L158-I160 HydrophobicContact CD2-CD1 4.1Å; L158-I160 HydrophobicContact CD2-CG1 4.46Å; L158-I160 HydrophobicContact CG-CD1 4.29Å; L158-I160 HydrophobicContact CG-CG1 4.12Å
159H93.6Very high79.7Confident36 Ų3670.8 Ų70.817%0.16740%0.399CS..EExtended strand (participates in β ladder)trans-102.5132.2175.5-59-81.4000109.8L88 T89 C150 H151 S153 K157L88-H159 CarbonylContact O-C 3.59Å; L88-H159 WeakPolarHBondContact O-CA 3.4Å; T89-H159 VanDerWaalsContact CG2-CE1 3.5Å; T89-H159 WeakPolarHBondContact CG2-CE1 3.5Å; T89-H159 WeakPolarHBondContact CG2-ND1 3.42Å; T89-H159 PolarHBondContact OG1-ND1 2.74Å; C150-H159 CarbonylContact C-O 3.57Å; C150-H159 VanDerWaalsContact CA-O 3.25Å; C150-H159 WeakPolarHBondContact CA-O 3.45Å; H151-H159 AromaticContact CD2-CD2 3.73Å; H151-H159 WeakPolarHBondContact CE1-CB 3.39Å; H151-H159 AromaticContact CE1-CG 3.98Å; H151-H159 PolarHBondContact N-O 3.36Å; H151-H159 WeakPolarHBondContact NE2-CB 3.34Å; H151-H159 AromaticContact NE2-CD2 3.41Å; H151-H159 PolarHBondContact NE2-CD2 3.5Å; H151-H159 AromaticContact NE2-CG 3.56Å; H151-H159 PolarHBondContact O-N 3.42Å; S153-H159 PolarHBondContact OG-CD2 2.9Å; S153-H159 PolarHBondContact OG-NE2 3.18Å; K157-H159 PolarHBondContact O-CD2 2.99Å
160I92.4Very high77.8Confident1 Ų171.3 Ų71.31%0.00541%0.413CS..EExtended strand (participates in β ladder)trans-128.1122.8178.3-52.1174.5000107.2L88 L90 V102 L109 V111 V148 S149 C150 L158L88-I160 HydrophobicContact CB-CB 4.34Å; L88-I160 HydrophobicContact CD2-CD1 4.31Å; L88-I160 PolarHBondContact N-O 3.25Å; L88-I160 PolarHBondContact O-N 3.01Å; L90-I160 HydrophobicContact CD1-CD1 3.97Å; V102-I160 HydrophobicContact CG1-CD1 3.99Å; V102-I160 HydrophobicContact CG2-CD1 4.02Å; L109-I160 HydrophobicContact CD2-CB 4.36Å; L109-I160 HydrophobicContact CD2-CD1 3.83Å; L109-I160 HydrophobicContact CD2-CG2 3.74Å; V111-I160 HydrophobicContact CG2-CD1 3.68Å; V148-I160 HydrophobicContact CG1-CG2 3.83Å; S149-I160 WeakPolarHBondContact O-CA 3.35Å; C150-I160 HydrophobicContact CB-CG1 4.16Å; L158-I160 HydrophobicContact CD2-CD1 4.1Å; L158-I160 HydrophobicContact CD2-CG1 4.46Å; L158-I160 HydrophobicContact CG-CD1 4.29Å; L158-I160 HydrophobicContact CG-CG1 4.12Å
161Q89.9Confident75.5Confident106 Ų10672.8 Ų72.850%0.49542%0.42SS..EExtended strand (participates in β ladder)trans-123.2139.2-179.5-66.1179.17.300109.4F86 V148 S149F86-Q161 CarbonylContact O-C 3.55Å; F86-Q161 WeakPolarHBondContact O-CA 3.36Å; V148-Q161 WeakPolarHBondContact CA-O 3.39Å; S149-Q161 PolarHBondContact N-O 3.38Å; S149-Q161 PolarHBondContact O-N 3.41Å; S149-Q161 PolarHBondContact OG-O 2.86Å
162A85.2Confident73.3Confident2 Ų277.4 Ų77.42%0.01744%0.442CS..EExtended strand (participates in β ladder)trans-134.9130.7171.900000110.3F86 V143 V148F86-A162 HydrophobicContact CB-CB 4.23Å; F86-A162 HydrophobicContact CD1-CB 4.35Å; F86-A162 PolarHBondContact N-O 3.04Å; F86-A162 PolarHBondContact O-N 3.1Å; V143-A162 HydrophobicContact CG1-CB 3.63Å; V143-A162 HydrophobicContact CG2-CB 4.35Å; V148-A162 HydrophobicContact CG2-CB 4.03Å
163A77Confident71.1Confident52 Ų5284.7 Ų84.743%0.4347%0.466SS..EExtended strand (participates in β ladder)trans-71.613017300000109.2D147 V165D147-A163 HydrophobicContact CB-CB 4.45Å; A163-V165 PolarHBondContact O-N 2.95Å
164K68.8Low68.9Low87 Ų8791.4 Ų91.438%0.37849%0.494SS..PPolyproline II helixtrans-76.5118.9166.1-163.8-177.2176.2-166.60105.9E84 P166E84-K164 WeakPolarHBondContact O-CB 3.11Å; E84-K164 PolarHBondContact O-N 3.41Å; K164-P166 WeakPolarHBondContact O-CD 3.32Å
165V60.5Low66.7Low67 Ų6791.7 Ų91.741%0.40649%0.487SS..PPolyproline II helixtrans-63.4123.6165.2-178.20000105.6G142 A163 C167G142-V165 WeakPolarHBondContact O-CG2 3.13Å; A163-V165 PolarHBondContact O-N 2.95Å; V165-C167 PolarHBondContact O-N 3.41Å
166P53.3Low64.2Low85 Ų8593.1 Ų93.155%0.55250%0.499SS*.  trans-59.2115.9175.222.1-30.2000107.1K164 I168K164-P166 WeakPolarHBondContact O-CD 3.32Å; P166-I168 PolarHBondContact O-N 3.37Å
167C41.6Very low61.9Low96 Ų96100 Ų10065%0.64953%0.53SS*.  trans-55.7116.2160.4-95.20000105.6V165 E169V165-C167 PolarHBondContact O-N 3.41Å; C167-E169 HydrophobicContact CB-CG 4.36Å; C167-E169 PolarHBondContact O-N 2.86Å
168I45.8Very low59.2Low146 Ų146105.5 Ų105.575%0.74955%0.554SS**  trans-66.980.8166.2-56.8173.6000105.7P166 G170P166-I168 PolarHBondContact O-N 3.37Å; I168-G170 PolarHBondContact O-N 2.9Å
169E48.9Very low56.1Low184 Ų184116.2 Ų116.286%0.8659%0.594SS**  trans-74.1105.5160.3-69.5-161.8166.400106.7C167C167-E169 HydrophobicContact CB-CG 4.36Å; C167-E169 PolarHBondContact O-N 2.86Å
170G49.2Very low53.5Low68 Ų68120.2 Ų120.270%0.70163%0.626SS**  trans82.668.8161.900000116.7I168I168-G170 PolarHBondContact O-N 2.9Å
171T40.6Very low51Low108 Ų108124.9 Ų124.966%0.66366%0.659SS**  trans-132.184.9137.6-52.20000107.3R173T171-R173 PolarHBondContact O-N 3.22Å
172E45.9Very low49Very low184 Ų184128.9 Ų128.986%0.8668%0.678SS**  trans-47.7103.7159.9-176.8174.3-162.900107.6E174E172-E174 PolarHBondContact O-N 2.86Å
173R48.6Very low46.7Very low211 Ų211137 Ų13780%0.79672%0.715SS**  trans-78.8103.9166.2-62.5-174.4-173.3-174.42.6105.1T171 L175T171-R173 PolarHBondContact O-N 3.22Å; R173-L175 PolarHBondContact O-N 3.49Å
174E46.5Very low45Very low167 Ų167141.7 Ų141.778%0.7873%0.728SS**  trans-58.1102.6167.4-172.3-177.416200107.9E172 T176E172-E174 PolarHBondContact O-N 2.86Å; E174-T176 PolarHBondContact O-N 2.68Å
175L43Very low43.5Very low150 Ų150143 Ų14379%0.78575%0.746SS**  trans-83.798.3172-65.5178.7000107.3R173 I177R173-L175 PolarHBondContact O-N 3.49Å; L175-I177 PolarHBondContact O-N 2.82Å
176T38.5Very low42.2Very low109 Ų109147 Ų14767%0.66976%0.76SS**  trans-63.6107.3171.7-48.90000109.5E174 K178E174-T176 PolarHBondContact O-N 2.68Å; T176-K178 PolarHBondContact O-N 2.99Å; T176-K178 VanDerWaalsContact O-N 3.1Å
177I40Very low41.3Very low157 Ų157151.7 Ų151.781%0.80577%0.774SS**  trans-71.2102.6171.7-58.5175.3000107.6L175 R179L175-I177 PolarHBondContact O-N 2.82Å; I177-R179 PolarHBondContact O-N 2.92Å
178K38.6Very low41.2Very low192 Ų192152.9 Ų152.984%0.83578%0.784SS**  trans-75.6110.6166.6-71.6-163.4175.5-174.90108.7T176 S180T176-K178 PolarHBondContact O-N 2.99Å; T176-K178 VanDerWaalsContact O-N 3.1Å; K178-S180 PolarHBondContact O-N 2.93Å
179R29.9Very low40.4Very low233 Ų233152.4 Ų152.488%0.87979%0.787SS**  trans-66.3111.4169.4-169.3176.5-172.11631108.2I177 S181I177-R179 PolarHBondContact O-N 2.92Å; R179-S181 PolarHBondContact O-N 3.23Å; R179-S181 VanDerWaalsContact O-N 3.11Å
180S39.5Very low39.6Very low119 Ų119148.9 Ų148.983%0.83278%0.782SS**  trans-69.999.7163.950.40000107.7K178K178-S180 PolarHBondContact O-N 2.93Å
181S39.3Very low38.9Very low100 Ų100150.4 Ų150.470%0.69978%0.782SS**  trans-80.9116.2163.351.60000108.1R179R179-S181 PolarHBondContact O-N 3.23Å; R179-S181 VanDerWaalsContact O-N 3.11Å
182E48.3Very low38.7Very low189 Ų189154.6 Ų154.688%0.88379%0.794SS**  trans-80.7119161.7-158.2169.5-177.600106.9
183E37.3Very low38.6Very low174 Ų174153.1 Ų153.181%0.81379%0.787SS**  trans-143.9100.8160.3-101.3-175.9127.100107.7
184E41Very low38Very low150 Ų150151.1 Ų151.170%0.70178%0.784SS**  trans-75.4137.2147.1-161.4-167.3138.600107.1Q186E184-Q186 WeakPolarHBondContact OE1-CG 3.31Å
185P36.6Very low37.9Very low115 Ų115149.6 Ų149.675%0.74778%0.781SS**  -134.6147.4124.428.8-14.1000113.4
186Q33.2Very low38.2Very low149 Ų149151.3 Ų151.370%0.69681%0.806SS**  trans-67162.8-178.2-62.2176.8-41.900114.5E184E184-Q186 WeakPolarHBondContact OE1-CG 3.31Å
187Q35.3Very low38.2Very low184 Ų184153.4 Ų153.486%0.8681%0.813SS**  trans83.8107.8152.4-80.1174.6-45.200119.6
188S38.8Very low38.1Very low122 Ų122153.2 Ų153.285%0.85381%0.813SS**  -163.6126.7121.7177.70000111.5
189V30.5Very low38Very low135 Ų135151.1 Ų151.182%0.81881%0.812SS**  trans-56.8147.2176.1168.20000113.5
190C30.6Very low38.5Very low111 Ų111146.2 Ų146.275%0.7581%0.808SS**  175.7108.3124.2-167.80000114
191S34.4Very low38.4Very low100 Ų100147.9 Ų147.970%0.69981%0.806SS**  trans66.2122.9134.5-49.60000123.7
192Q37.1Very low38.4Very low196 Ų196151.1 Ų151.192%0.91681%0.814SS**  trans-161.898.9131.2-100.2171.30.500105.5
193E43Very low37.7Very low153 Ų153148.4 Ų148.472%0.71581%0.809SS**  59.5105.579-132.3-171.3156.300115.9
194K36.8Very low37.7Very low168 Ų168146.5 Ų146.573%0.7381%0.808SS**  trans59.6148.3151-72.5170.6-177.11460117.9
195D43.4Very low37.4Very low135 Ų135146.2 Ų146.272%0.72282%0.817SS**  cis-166.4147.537.7-158.8-92.9000109.9
196S49.6Very low37.5Very low186 Ų186149 Ų149100%1.30182%0.824SS**  trans54.20160.3-88.20000123.5

Retrieved 196 of 196 residues in 28.9 ms (Link to these results)